Q105006937

[object Object]
Name3-(4-hydroxyphenyl)-8,8-dimethylpyrano[2,3-f]chromen-4-one
WikidataQ105006937
Mol. formulaC20H16O4
CAS registry number-
Mol. weight320.3394

Representations

Temporary LOTUS idLTS0275697
Name3-(4-hydroxyphenyl)-8,8-dimethylpyrano[2,3-f]chromen-4-one
Canonical SMILESCC1(C)C=Cc2c(ccc3c(=O)c(-c4ccc(O)cc4)coc23)O1
2D SMILESCC1(C)C=Cc2c(ccc3c(=O)c(-c4ccc(O)cc4)coc23)O1
IUPAC name3-(4-hydroxyphenyl)-8,8-dimethyl-4H,8H-pyrano[2,3-f]chromen-4-one
InChIInChI=1S/C20H16O4/c1-20(2)10-9-14-17(24-20)8-7-15-18(22)16(11-23-19(14)15)12-3-5-13(21)6-4-12/h3-11,21H,1-2H3
InChIKeyGDSRNXASWYVDMP-UHFFFAOYSA-N
Deep SMILEScould not be computed
Murcko FrameworkO1C=C(c2ccccc2)Cc3ccc4OCC=Cc4c13

Organism taxonomy


KingdomPhylumFamilyGenusSpeciesLink to taxonomy
 Plantae  Tracheophyta  Fabaceae  Bituminaria  Bituminaria morisiana 
Ref:

DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Archaeplastida  Streptophyta  Fabaceae  Erythrina  Erythrina variegata Wikidata logo
Ref:
Wikidata logo

DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Archaeplastida  Streptophyta  Fabaceae  Erythrina  Erythrina bidwillii 
Ref:

Chemical ontology


PathwaySuperclassClass
Shikimates and PhenylpropanoidsIsoflavonoidsIsoflavones

Molecular Properties

Total atom number40
Heavy atom number24
Bond count27
Number of carbons20
Minimal number of rings4
Maximal number of rings7

Molecular Descriptors

NP-likeness score 1
Alogp4.06
Alogp216.47
Apol 49.0767
Bpol 22.2813
EccentricConnectivityIndexDescriptor 515
FmfDescriptor 0.8333
Fsp3 0.15
FragmentComplexityDescriptor 1297.04
PetitjeanNumber 0.4615
LipinskiRuleOf5Failures 0
WienerPathNumber1321
Xlogp 4.984
ZagrebIndex 136
TopoPSA 59.67