Q83005061

[object Object]
NameDiphysolone
WikidataQ83005061
Mol. formulaC20H20O6
CAS registry number-
Mol. weight356.37

Representations

Temporary LOTUS idLTS0248840
NameDiphysolone
Canonical SMILESCC(C)=CCc1c(O)cc2c(c1O)C(=O)C(c1ccc(O)cc1O)CO2
2D SMILESCC(C)=CCc1c(O)cc2c(c1O)C(=O)C(c1ccc(O)cc1O)CO2
IUPAC name3-(2,4-dihydroxyphenyl)-5,7-dihydroxy-6-(3-methylbut-2-en-1-yl)-3,4-dihydro-2H-1-benzopyran-4-one
InChIInChI=1S/C20H20O6/c1-10(2)3-5-13-16(23)8-17-18(19(13)24)20(25)14(9-26-17)12-6-4-11(21)7-15(12)22/h3-4,6-8,14,21-24H,5,9H2,1-2H3
InChIKeyAMCPULFLJZMXJI-UHFFFAOYSA-N
Deep SMILEScould not be computed
Murcko FrameworkO1c2ccccc2CC(c3ccccc3)C1

Organism taxonomy


DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Archaeplastida  Streptophyta  Fabaceae  Uraria  Uraria picta Wikidata logo
Ref:
Wikidata logo

DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Archaeplastida  Streptophyta  Fabaceae  Diphysa  Diphysa americana Wikidata logo
 Eukaryota  Archaeplastida  Streptophyta  Fabaceae  Diphysa  Diphysa robinioides Wikidata logo
Ref:
Wikidata logo

DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Archaeplastida  Streptophyta  Fabaceae  Desmodium  Desmodium sandwicense Wikidata logo
 Eukaryota  Archaeplastida  Streptophyta  Fabaceae  Desmodium  Desmodium uncinatum Wikidata logo
Ref:
Wikidata logo

Chemical ontology


PathwaySuperclassClass
Shikimates and PhenylpropanoidsIsoflavonoidsIsoflavanones

Molecular Properties

Total atom number46
Heavy atom number26
Bond count28
Number of carbons20
Minimal number of rings3
Maximal number of rings4

Molecular Descriptors

NP-likeness score 1.02
Alogp3.77
Alogp214.21
Apol 53.3479
Bpol 24.7381
EccentricConnectivityIndexDescriptor 536
FmfDescriptor 0.6154
Fsp3 0.25
FragmentComplexityDescriptor 1654.06
PetitjeanNumber 0.4615
LipinskiRuleOf5Failures 0
WienerPathNumber1628
Xlogp 2.968
ZagrebIndex 138
TopoPSA 107.22