LOTUS: Natural Products Online

Q27134167

Name	Cubebin
Wikidata	Q27134167
Mol. formula	C20H20O6
CAS registry number	-
Mol. weight	356.37

Representations

Temporary LOTUS id	LTS0234658
Name	Cubebin
Canonical SMILES	O[C@H]1OC[C@H](Cc2ccc3c(c2)OCO3)[C@H]1Cc1ccc2c(c1)OCO2
2D SMILES	OC1OCC(Cc2ccc3c(c2)OCO3)C1Cc1ccc2c(c1)OCO2
IUPAC name	(2S,3R,4R)-3,4-bis[(2H-1,3-benzodioxol-5-yl)methyl]oxolan-2-ol
InChI	InChI=1S/C20H20O6/c21-20-15(6-13-2-4-17-19(8-13)26-11-24-17)14(9-22-20)5-12-1-3-16-18(7-12)25-10-23-16/h1-4,7-8,14-15,20-21H,5-6,9-11H2/t14-,15+,20-/m0/s1
InChIKey	DIYWRNLYKJKHAM-MDOVXXIYSA-N
Deep SMILES	could not be computed
Murcko Framework	O1c2ccc(cc2OC1)CC3COCC3Cc4ccc5OCOc5c4

Organism taxonomy

Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Plantae	Tracheophyta	Myristicaceae	Virola	Virola venosa

Ref:

Kingdom	Family	Genus	Species
Plantae	Myristicaceae	Virola	Virola surinamensis

Superkingdom	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Eukaryota	Viridiplantae	Streptophyta	Myristicaceae	Virola	Virola surinamensis

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Myristicaceae	Virola	Virola surinamensis

Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Plantae	Tracheophyta	Myristicaceae	Virola	Virola surinamensis

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Asteraceae	Lychnophora	Lychnophora ericoides

Superkingdom	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Eukaryota	Viridiplantae	Streptophyta	Asteraceae	Lychnophora	Lychnophora ericoides

Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Plantae	Tracheophyta	Asteraceae	Lychnophora	Lychnophora ericoides

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Aristolochiaceae	Aristolochia	Aristolochia gehrtii

Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Plantae	Tracheophyta	Aristolochiaceae	Aristolochia	Aristolochia gehrtii

Ref:

Kingdom	Family	Genus	Species
Plantae	Piperaceae	Piper	Piper nigrum
Plantae	Piperaceae	Piper	Piper cubeba

Superkingdom	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Eukaryota	Viridiplantae	Streptophyta	Piperaceae	Piper	Piper cubeba
Eukaryota	Viridiplantae	Streptophyta	Piperaceae	Piper	Piper nigrum

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Piperaceae	Piper	Piper nigrum
Eukaryota	Archaeplastida	Streptophyta	Piperaceae	Piper	Piper cubeba

Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Plantae	Tracheophyta	Piperaceae	Piper	Piper nigrum
Plantae	Tracheophyta	Piperaceae	Piper	Piper cubeba

Ref:

Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Plantae	Tracheophyta	Aristolochiaceae	Aristolochia	Aristolochia tomentosa

Kingdom	Family	Genus	Species
Plantae	Aristolochiaceae	Aristolochia	Aristolochia tomentosa

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Aristolochiaceae	Aristolochia	Aristolochia tomentosa
Eukaryota	Archaeplastida	Streptophyta	Aristolochiaceae	Aristolochia	Aristolochia pubescens

Superkingdom	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Eukaryota	Viridiplantae	Streptophyta	Aristolochiaceae	Aristolochia	Aristolochia tomentosa

Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Plantae	Tracheophyta	Aristolochiaceae	Aristolochia	Aristolochia pubescens
Plantae	Tracheophyta	Aristolochiaceae	Aristolochia	Aristolochia tomentosa

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Piperaceae	Piper	Piper ribesioides

Superkingdom	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Eukaryota	Viridiplantae	Streptophyta	Piperaceae	Piper	Piper ribesioides

Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Plantae	Tracheophyta	Piperaceae	Piper	Piper ribesioides

Ref:

Kingdom	Family	Genus	Species
Plantae	Piperaceae	Piper	Piper nigrum
Plantae	Piperaceae	Piper	Piper cubeba

Superkingdom	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Eukaryota	Viridiplantae	Streptophyta	Piperaceae	Piper	Piper nigrum
Eukaryota	Viridiplantae	Streptophyta	Piperaceae	Piper	Piper cubeba

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Piperaceae	Piper	Piper nigrum
Eukaryota	Archaeplastida	Streptophyta	Piperaceae	Piper	Piper cubeba

Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Plantae	Tracheophyta	Piperaceae	Piper	Piper cubeba
Plantae	Tracheophyta	Piperaceae	Piper	Piper nigrum

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Burseraceae	Protium	Protium tenuifolium

Superkingdom	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Eukaryota	Viridiplantae	Streptophyta	Burseraceae	Protium	Protium tenuifolium

Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Plantae	Tracheophyta	Burseraceae	Protium	Protium tenuifolium

Ref:

Superkingdom	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Eukaryota	Viridiplantae	Streptophyta	Myristicaceae	Virola	Virola flexuosa

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Myristicaceae	Virola	Virola multinervia
Eukaryota	Archaeplastida	Streptophyta	Myristicaceae	Virola	Virola flexuosa

Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Plantae	Tracheophyta	Myristicaceae	Virola	Virola multinervia
Plantae	Tracheophyta	Myristicaceae	Virola	Virola flexuosa

Ref:

Kingdom	Family	Genus	Species
Plantae	Aristolochiaceae	Aristolochia	Aristolochia labiata
Plantae	Aristolochiaceae	Aristolochia	Aristolochia ringens

Domain	Kingdom	Phylum	Family	Genus	Species
Eukaryota	Archaeplastida	Streptophyta	Aristolochiaceae	Aristolochia	Aristolochia ringens
Eukaryota	Archaeplastida	Streptophyta	Aristolochiaceae	Aristolochia	Aristolochia labiata
Eukaryota	Archaeplastida	Streptophyta	Aristolochiaceae	Aristolochia	Aristolochia galeata

Superkingdom	Kingdom	Phylum	Family	Genus	Species
Eukaryota	Viridiplantae	Streptophyta	Aristolochiaceae	Aristolochia	Aristolochia ringens
Eukaryota	Viridiplantae	Streptophyta	Aristolochiaceae	Aristolochia	Aristolochia labiata
Eukaryota	Viridiplantae	Streptophyta	Aristolochiaceae	Aristolochia	Aristolochia galeata

Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Plantae	Tracheophyta	Aristolochiaceae	Aristolochia	Aristolochia ringens
Plantae	Tracheophyta	Aristolochiaceae	Aristolochia	Aristolochia labiata

Ref:

Kingdom	Family	Genus	Species
Plantae	Piperaceae	Piper	Piper cubeba

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Piperaceae	Piper	Piper cubeba

Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Plantae	Tracheophyta	Piperaceae	Piper	Piper cubeba

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Aristolochiaceae	Aristolochia	Aristolochia birostris

Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Plantae	Tracheophyta	Aristolochiaceae	Aristolochia	Aristolochia birostris

Ref:

Kingdom	Family	Genus	Species
Plantae	Piperaceae	Piper	Piper guineense

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Piperaceae	Piper	Piper guineense

Superkingdom	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Eukaryota	Viridiplantae	Streptophyta	Piperaceae	Piper	Piper guineense

Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Plantae	Tracheophyta	Piperaceae	Piper	Piper guineense

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Aristolochiaceae	Aristolochia	Aristolochia pubescens
Eukaryota	Archaeplastida	Streptophyta	Aristolochiaceae	Aristolochia	Aristolochia lagesiana

Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Plantae	Tracheophyta	Aristolochiaceae	Aristolochia	Aristolochia lagesiana
Plantae	Tracheophyta	Aristolochiaceae	Aristolochia	Aristolochia pubescens

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Myristicaceae	Virola	Virola multinervia

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Aristolochiaceae	Aristolochia	Aristolochia chamissonis

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Rutaceae	Zanthoxylum	Zanthoxylum petiolare

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Acanthaceae	Justicia	Justicia hyssopifolia

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Piperaceae	Piper	Piper cubeba

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Lamiaceae	Hypenia	Hypenia salzmannii

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Piperaceae	Piper	Piper guineense

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Aristolochiaceae	Aristolochia	Aristolochia tomentosa
Eukaryota	Archaeplastida	Streptophyta	Aristolochiaceae	Aristolochia	Aristolochia pubescens

Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Plantae	Tracheophyta	Aristolochiaceae	Aristolochia	Aristolochia pubescens
Plantae	Tracheophyta	Aristolochiaceae	Aristolochia	Aristolochia tomentosa

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Piperaceae	Piper	Piper cubeba

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Aristolochiaceae	Aristolochia	Aristolochia cymbifera

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Rutaceae	Zanthoxylum	Zanthoxylum petiolare

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Piperaceae	Piper	Piper cubeba

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Myristicaceae	Virola	Virola carinata
Eukaryota	Archaeplastida	Streptophyta	Myristicaceae	Virola	Virola surinamensis

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Aristolochiaceae	Aristolochia	Aristolochia elegans

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Piperaceae	Piper	Piper trichostachyon

Ref:

Superkingdom	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Eukaryota	Viridiplantae	Streptophyta	Piperaceae	Piper	Piper nigrum
Eukaryota	Viridiplantae	Streptophyta	Piperaceae	Piper	Piper cubeba

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Piperaceae	Piper	Piper cubeba
Eukaryota	Archaeplastida	Streptophyta	Piperaceae	Piper	Piper nigrum

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Metazoa	Arthropoda	Apidae	Apis	Apis cerana

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Aristolochiaceae	Aristolochia	Aristolochia triangularis

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Piperaceae	Piper	Piper cubeba

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Aristolochiaceae	Aristolochia	Aristolochia constricta

Ref:

Chemical ontology

Pathway	Superclass	Class
Shikimates and Phenylpropanoids	Lignans	Dibenzylbutyrolactone lignans

Molecular Properties

Total atom number	46
Heavy atom number	26
Bond count	30
Number of carbons	20
Minimal number of rings	5
Maximal number of rings	7

Molecular Descriptors

NP-likeness score	1
Alogp	3.19
Alogp2	10.2
Apol	53.3479
Bpol	31.4441
EccentricConnectivityIndexDescriptor	607
FmfDescriptor	0.9615
Fsp3	0.4
FragmentComplexityDescriptor	1850.06
PetitjeanNumber	0.4615
LipinskiRuleOf5Failures	0
WienerPathNumber	1760
Xlogp	2.721
ZagrebIndex	146
TopoPSA	66.38

Kingdom	Superclass	Class	Direct Parent
Organic compounds	Lignans, neolignans and related compounds	Furanoid lignans	Dibenzylbutyrolactols