LOTUS: Natural Products Online

Q104253528

Name	5-[(3ar,4r,6ar)-4-(2h-1,3-benzodioxol-5-yl)-hexahydrofuro[3,4-c]furan-1-yl]-2h-1,3-benzodioxole
Wikidata	Q104253528
Mol. formula	C20H18O6
CAS registry number	-
Mol. weight	354.3541

Representations

Temporary LOTUS id	LTS0105150
Name	5-[(3ar,4r,6ar)-4-(2h-1,3-benzodioxol-5-yl)-hexahydrofuro[3,4-c]furan-1-yl]-2h-1,3-benzodioxole
Canonical SMILES	c1cc2c(cc1C1OC[C@@H]3[C@H](c4ccc5c(c4)OCO5)OC[C@H]13)OCO2
2D SMILES	c1cc2c(cc1C1OCC3C(c4ccc5c(c4)OCO5)OCC13)OCO2
IUPAC name	5-[(3aR,4R,6aR)-4-(2H-1,3-benzodioxol-5-yl)-hexahydrofuro[3,4-c]furan-1-yl]-2H-1,3-benzodioxole
InChI	InChI=1S/C20H18O6/c1-3-15-17(25-9-23-15)5-11(1)19-13-7-22-20(14(13)8-21-19)12-2-4-16-18(6-12)26-10-24-16/h1-6,13-14,19-20H,7-10H2/t13-,14-,19-,20?/m0/s1
InChIKey	PEYUIKBAABKQKQ-NRFVGKODSA-N
Deep SMILES	could not be computed
Murcko Framework	O1c2ccc(cc2OC1)C3OCC4C(OCC34)c5ccc6OCOc6c5

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:

Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Plantae	Tracheophyta	Pedaliaceae	Sesamum	Sesamum indicum

Kingdom	Family	Genus	Species
Plantae	Pedaliaceae	Sesamum	Sesamum indicum

Superkingdom	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Eukaryota	Viridiplantae	Streptophyta	Pedaliaceae	Sesamum	Sesamum indicum

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Pedaliaceae	Sesamum	Sesamum indicum

Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Plantae	Tracheophyta	Pedaliaceae	Sesamum	Sesamum indicum

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Rutaceae	Stauranthus	Stauranthus perforatus

Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Plantae	Tracheophyta	Rutaceae	Stauranthus	Stauranthus perforatus

Ref:

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

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

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Rutaceae	Raulinoa	Raulinoa echinata

Superkingdom	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Eukaryota	Viridiplantae	Streptophyta	Rutaceae	Raulinoa	Raulinoa echinata

Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Plantae	Tracheophyta	Rutaceae	Raulinoa	Raulinoa echinata

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	Phylum	Family	Genus	Species	Link to taxonomy
Plantae	Tracheophyta	Rutaceae	Esenbeckia	Esenbeckia berlandieri

Ref:

Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Plantae	Tracheophyta	Rutaceae	Zanthoxylum	Zanthoxylum rigidum

Ref:

Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Plantae	Tracheophyta	Rutaceae	Zanthoxylum	Zanthoxylum americanum

Kingdom	Family	Genus	Species
Plantae	Rutaceae	Zanthoxylum	Zanthoxylum americanum

Family	Genus	Species
Rutaceae	Zanthoxylum	Zanthoxylum americanum

Superkingdom	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Eukaryota	Viridiplantae	Streptophyta	Rutaceae	Zanthoxylum	Zanthoxylum americanum

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

Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Plantae	Tracheophyta	Rutaceae	Zanthoxylum	Zanthoxylum americanum

Ref:

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

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

Ref:

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

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

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

Ref:

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

Ref:

Superkingdom	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Eukaryota	Viridiplantae	Streptophyta	Myristicaceae	Horsfieldia	Horsfieldia glabra

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Myristicaceae	Horsfieldia	Horsfieldia glabra

Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Plantae	Tracheophyta	Myristicaceae	Horsfieldia	Horsfieldia glabra

Ref:

Kingdom	Family	Genus
Plantae	Rutaceae	Zanthoxylum

Family	Genus
Rutaceae	Zanthoxylum

Superkingdom	Kingdom	Phylum	Family	Genus	Link to taxonomy
Eukaryota	Viridiplantae	Streptophyta	Rutaceae	Zanthoxylum

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

Kingdom	Phylum	Family	Genus	Link to taxonomy
Plantae	Tracheophyta	Rutaceae	Zanthoxylum

Ref:

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

Superkingdom	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Eukaryota	Viridiplantae	Streptophyta	Rutaceae	Zanthoxylum	Zanthoxylum gilletii

Ref:

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

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

Kingdom	Phylum	Family	Genus	Species
Plantae	Tracheophyta	Piperaceae	Piper	Piper mullesua
Plantae	Tracheophyta	Piperaceae	Piper	Piper longum
Plantae	Tracheophyta	Piperaceae	Piper	Piper mullesua

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Lauraceae	Lindera	Lindera praecox

Ref:

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

Ref:

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

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Myristicaceae	Horsfieldia	Horsfieldia irya

Ref:

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

Ref:

Chemical ontology

Pathway	Superclass	Class
Shikimates and Phenylpropanoids	Lignans	Furofuranoid lignans

Molecular Properties

Total atom number	44
Heavy atom number	26
Bond count	31
Number of carbons	20
Minimal number of rings	6
Maximal number of rings	9

Molecular Descriptors

NP-likeness score	1
Alogp	2.24
Alogp2	5
Apol	52.0143
Bpol	31.1737
EccentricConnectivityIndexDescriptor	618
FmfDescriptor	1
Fsp3	0.4
FragmentComplexityDescriptor	1751.06
PetitjeanNumber	0.4615
LipinskiRuleOf5Failures	0
WienerPathNumber	1694
Xlogp	2.746
ZagrebIndex	154
TopoPSA	55.38

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