Q83007362

[object Object]
Name5,6-dimethoxy-2-(2,3,4,6-tetramethoxyphenyl)chromen-4-one
WikidataQ83007362
Mol. formulaC21H22O8
CAS registry number-
Mol. weight402.3954

Representations

Temporary LOTUS idLTS0121210
Name5,6-dimethoxy-2-(2,3,4,6-tetramethoxyphenyl)chromen-4-one
Canonical SMILESCOc1cc(OC)c(-c2cc(=O)c3c(OC)c(OC)ccc3o2)c(OC)c1OC
2D SMILESCOc1cc(OC)c(-c2cc(=O)c3c(OC)c(OC)ccc3o2)c(OC)c1OC
IUPAC name5,6-dimethoxy-2-(2,3,4,6-tetramethoxyphenyl)-4H-chromen-4-one
InChIInChI=1S/C21H22O8/c1-23-13-8-7-12-17(19(13)26-4)11(22)9-15(29-12)18-14(24-2)10-16(25-3)20(27-5)21(18)28-6/h7-10H,1-6H3
InChIKeyWRSCDVAVPNHFPB-UHFFFAOYSA-N
Deep SMILEScould not be computed
Murcko FrameworkO1c2ccccc2CC=C1c3ccccc3

Organism taxonomy


DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Archaeplastida  Streptophyta  Rutaceae  Casimiroa  Casimiroa greggii Wikidata logo
Ref:
Wikidata logo

Chemical ontology


PathwaySuperclassClass
Shikimates and PhenylpropanoidsFlavonoidsFlavones

Molecular Properties

Total atom number51
Heavy atom number29
Bond count31
Number of carbons21
Minimal number of rings3
Maximal number of rings4

Molecular Descriptors

NP-likeness score 1
Alogp3.73
Alogp213.92
Apol 58.0454
Bpol 38.4206
EccentricConnectivityIndexDescriptor 599
FmfDescriptor 0.5517
Fsp3 0.2857
FragmentComplexityDescriptor 1997.08
PetitjeanNumber 0.4615
LipinskiRuleOf5Failures 0
WienerPathNumber2084
Xlogp 4.108
ZagrebIndex 150
TopoPSA 85.59