Q83057685

[object Object]
Name2-methoxy-9,10-anthracenedione
WikidataQ83057685
Mol. formulaC15H10O3
CAS registry number-
Mol. weight238.2387

Representations

Temporary LOTUS idLTS0041778
Name2-methoxy-9,10-anthracenedione
Canonical SMILESCOc1ccc2c(c1)C(=O)c1ccccc1C2=O
2D SMILESCOc1ccc2c(c1)C(=O)c1ccccc1C2=O
IUPAC name2-methoxy-9,10-dihydroanthracene-9,10-dione
InChIInChI=1S/C15H10O3/c1-18-9-6-7-12-13(8-9)15(17)11-5-3-2-4-10(11)14(12)16/h2-8H,1H3
InChIKeyAPLQXUAECQNQFE-UHFFFAOYSA-N
Deep SMILEScould not be computed
Murcko Frameworkc1ccc2c(c1)Cc3ccccc3C2

Organism taxonomy


KingdomPhylumFamilyGenusSpeciesLink to taxonomy
 Plantae  Tracheophyta  Rubiaceae  Prismatomeris  Prismatomeris tetrandra 
Ref:

DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Archaeplastida  Streptophyta  Euphorbiaceae  Jatropha  Jatropha curcas Wikidata logo
Ref:
Wikidata logo

DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Archaeplastida  Streptophyta  Rubiaceae  Gynochthodes  Gynochthodes officinalis Wikidata logo
Ref:
Wikidata logo

DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Archaeplastida  Streptophyta  Rubiaceae  Gynochthodes  Gynochthodes officinalis Wikidata logo
Ref:
Wikidata logo

Chemical ontology


PathwaySuperclassClass
PolyketidesPolycyclic aromatic polyketidesAnthraquinones and anthrones

Molecular Properties

Total atom number28
Heavy atom number18
Bond count20
Number of carbons15
Minimal number of rings3
Maximal number of rings6

Molecular Descriptors

NP-likeness score 1.05
Alogp2.79
Alogp27.8
Apol 35.4739
Bpol 14.7641
EccentricConnectivityIndexDescriptor 263
FmfDescriptor 0.7778
Fsp3 0.0667
FragmentComplexityDescriptor 594.03
PetitjeanNumber 0.4444
LipinskiRuleOf5Failures 0
WienerPathNumber543
Xlogp 3.023
ZagrebIndex 98
TopoPSA 43.37