LOTUS: Natural Products Online

Q27107239

[object Object]

Name	Lucidin ω-methyl ether
Wikidata	Q27107239
Mol. formula	C16H12O5
CAS registry number	-
Mol. weight	284.2641

Representations

Temporary LOTUS id	LTS0261324
Name	Lucidin ω-methyl ether
Canonical SMILES	COCc1c(O)cc2c(c1O)C(=O)c1ccccc1C2=O
2D SMILES	COCc1c(O)cc2c(c1O)C(=O)c1ccccc1C2=O
IUPAC name	1,3-dihydroxy-2-(methoxymethyl)-9,10-dihydroanthracene-9,10-dione
InChI	InChI=1S/C16H12O5/c1-21-7-11-12(17)6-10-13(16(11)20)15(19)9-5-3-2-4-8(9)14(10)18/h2-6,17,20H,7H2,1H3
InChIKey	OBAYLECORSQIQW-UHFFFAOYSA-N
Deep SMILES	could not be computed
Murcko Framework	c1ccc2c(c1)Cc3ccccc3C2

Organism taxonomy

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Metazoa	Arthropoda	Cicadellidae	Morinda	Morinda citrifolia

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Rubiaceae	Galium	Galium verum

Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Plantae	Tracheophyta	Rubiaceae	Prismatomeris	Prismatomeris tetrandra

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Rubiaceae	Damnacanthus	Damnacanthus indicus

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Rubiaceae	Rubia	Rubia wallichiana

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Rubiaceae	Galium	Galium spurium
Eukaryota	Archaeplastida	Streptophyta	Rubiaceae	Galium	Galium aparine

Superkingdom	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Eukaryota	Viridiplantae	Streptophyta	Rubiaceae	Galium	Galium aparine
Eukaryota	Viridiplantae	Streptophyta	Rubiaceae	Galium	Galium spurium

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Rubiaceae	Rennellia	Rennellia elliptica

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Rubiaceae	Faramea	Faramea occidentalis

Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Plantae	Tracheophyta	Rubiaceae	Morinda	Morinda parvifolia

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Rubiaceae	Plocama	Plocama pendula

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Rubiaceae	Gynochthodes	Gynochthodes officinalis

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Metazoa	Arthropoda	Cicadellidae	Morinda	Morinda citrifolia
Eukaryota	Archaeplastida	Streptophyta	Rubiaceae	Morinda	Morinda elliptica

Superkingdom	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Eukaryota	Viridiplantae	Streptophyta	Rubiaceae	Morinda	Morinda citrifolia
Eukaryota	Viridiplantae	Streptophyta	Rubiaceae	Morinda	Morinda elliptica

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Rubiaceae	Rubia	Rubia cordifolia

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Rubiaceae	Rubia	Rubia tinctorum

Chemical ontology

Pathway	Superclass	Class
Polyketides	Polycyclic aromatic polyketides	Anthraquinones and anthrones

Molecular Properties

Total atom number	33
Heavy atom number	21
Bond count	23
Number of carbons	16
Minimal number of rings	3
Maximal number of rings	6

Molecular Descriptors

NP-likeness score	1.04
Alogp	2.08
Alogp2	4.32
Apol	40.1715
Bpol	16.9505
EccentricConnectivityIndexDescriptor	335
FmfDescriptor	0.6667
Fsp3	0.125
FragmentComplexityDescriptor	805.05
PetitjeanNumber	0.5
LipinskiRuleOf5Failures	0
WienerPathNumber	818
Xlogp	2.004
ZagrebIndex	114
TopoPSA	83.83