Q105009536

[object Object]
Name(2r)-8,8-dimethyl-2-phenyl-2h,3h-pyrano[2,3-f]chromen-4-one
WikidataQ105009536
Mol. formulaC20H18O3
CAS registry number-
Mol. weight306.3559

Representations

Temporary LOTUS idLTS0156066
Name(2r)-8,8-dimethyl-2-phenyl-2h,3h-pyrano[2,3-f]chromen-4-one
Canonical SMILESCC1(C)C=Cc2c(ccc3c2O[C@@H](c2ccccc2)CC3=O)O1
2D SMILESCC1(C)C=Cc2c(ccc3c2OC(c2ccccc2)CC3=O)O1
IUPAC name(2R)-8,8-dimethyl-2-phenyl-2H,3H,4H,8H-pyrano[2,3-f]chromen-4-one
InChIInChI=1S/C20H18O3/c1-20(2)11-10-15-17(23-20)9-8-14-16(21)12-18(22-19(14)15)13-6-4-3-5-7-13/h3-11,18H,12H2,1-2H3/t18-/m1/s1
InChIKeyGJRSGESHUAFWMY-GOSISDBHSA-N
Deep SMILEScould not be computed
Murcko FrameworkO1c2ccc3c(OC(c4ccccc4)CC3)c2C=CC1

Organism taxonomy


DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Archaeplastida  Streptophyta  Fabaceae  Tephrosia  Tephrosia purpurea Wikidata logo
Ref:
Wikidata logo

DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Archaeplastida  Streptophyta  Fabaceae  Dahlstedtia  Dahlstedtia pinnata Wikidata logo
Ref:
Wikidata logo

DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Archaeplastida  Streptophyta  Fabaceae  Pongamia  Pongamia pinnata Wikidata logo
Ref:
Wikidata logo

DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Archaeplastida  Streptophyta  Fabaceae  Lonchocarpus  Lonchocarpus sericeus Wikidata logo
 Eukaryota  Archaeplastida  Streptophyta  Fabaceae  Lonchocarpus  Lonchocarpus eriocarinalis Wikidata logo
Ref:
Wikidata logo

Chemical ontology


PathwaySuperclassClass
Shikimates and PhenylpropanoidsFlavonoidsFlavanones

Molecular Properties

Total atom number41
Heavy atom number23
Bond count26
Number of carbons20
Minimal number of rings4
Maximal number of rings7

Molecular Descriptors

NP-likeness score 1.02
Alogp3.89
Alogp215.11
Apol 49.6083
Bpol 24.4677
EccentricConnectivityIndexDescriptor 432
FmfDescriptor 0.8696
Fsp3 0.25
FragmentComplexityDescriptor 1430.03
PetitjeanNumber 0.4545
LipinskiRuleOf5Failures 0
WienerPathNumber1124
Xlogp 4.088
ZagrebIndex 130
TopoPSA 35.53