Q27137789

[object Object]
Name2-(2-hydroxy-4,5-dimethoxyphenyl)-3,7,8-trimethoxychromen-4-one
WikidataQ27137789
Mol. formulaC20H20O8
CAS registry number-
Mol. weight388.3688

Representations

Temporary LOTUS idLTS0092409
Name2-(2-hydroxy-4,5-dimethoxyphenyl)-3,7,8-trimethoxychromen-4-one
Canonical SMILESCOc1cc(O)c(-c2oc3c(OC)c(OC)ccc3c(=O)c2OC)cc1OC
2D SMILESCOc1cc(O)c(-c2oc3c(OC)c(OC)ccc3c(=O)c2OC)cc1OC
IUPAC name2-(2-hydroxy-4,5-dimethoxyphenyl)-3,7,8-trimethoxy-4H-chromen-4-one
InChIInChI=1S/C20H20O8/c1-23-13-7-6-10-16(22)20(27-5)18(28-17(10)19(13)26-4)11-8-14(24-2)15(25-3)9-12(11)21/h6-9,21H,1-5H3
InChIKeyILFIBHRYVRDHNZ-UHFFFAOYSA-N
Deep SMILEScould not be computed
Murcko FrameworkO1c2ccccc2CC=C1c3ccccc3

Organism taxonomy


DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Archaeplastida  Streptophyta  Fabaceae  Parkia  Parkia biglobosa Wikidata logo
Ref:
Wikidata logo

Chemical ontology


PathwaySuperclassClass
Shikimates and PhenylpropanoidsFlavonoidsFlavonols

Molecular Properties

Total atom number48
Heavy atom number28
Bond count30
Number of carbons20
Minimal number of rings3
Maximal number of rings4

Molecular Descriptors

NP-likeness score 1
Alogp3.48
Alogp212.11
Apol 54.9519
Bpol 34.3181
EccentricConnectivityIndexDescriptor 536
FmfDescriptor 0.5714
Fsp3 0.25
FragmentComplexityDescriptor 1744.08
PetitjeanNumber 0.5
LipinskiRuleOf5Failures 0
WienerPathNumber1863
Xlogp 3.787
ZagrebIndex 146
TopoPSA 96.59