Q105267774

[object Object]
Name(2e)-1-[2,4-dihydroxy-3-(3-methylbut-2-en-1-yl)phenyl]-3-[3,4-dihydroxy-5-(3-methylbut-2-en-1-yl)phenyl]prop-2-en-1-one
WikidataQ105267774
Mol. formulaC25H28O5
CAS registry number-
Mol. weight408.4878

Representations

Temporary LOTUS idLTS0072182
Name(2e)-1-[2,4-dihydroxy-3-(3-methylbut-2-en-1-yl)phenyl]-3-[3,4-dihydroxy-5-(3-methylbut-2-en-1-yl)phenyl]prop-2-en-1-one
Canonical SMILESCC(C)=CCc1cc(/C=C/C(=O)c2ccc(O)c(CC=C(C)C)c2O)cc(O)c1O
2D SMILESCC(C)=CCc1cc(C=CC(=O)c2ccc(O)c(CC=C(C)C)c2O)cc(O)c1O
IUPAC name(2E)-1-[2,4-dihydroxy-3-(3-methylbut-2-en-1-yl)phenyl]-3-[3,4-dihydroxy-5-(3-methylbut-2-en-1-yl)phenyl]prop-2-en-1-one
InChIInChI=1S/C25H28O5/c1-15(2)5-8-18-13-17(14-23(28)24(18)29)7-11-21(26)20-10-12-22(27)19(25(20)30)9-6-16(3)4/h5-7,10-14,27-30H,8-9H2,1-4H3/b11-7+
InChIKeyTYWUDTBLZIUYSV-YRNVUSSQSA-N
Deep SMILEScould not be computed
Murcko Frameworkc1ccc(cc1)C=CCc2ccccc2

Organism taxonomy


DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Archaeplastida  Streptophyta  Fabaceae  Glycyrrhiza  Glycyrrhiza glabra Wikidata logo
Ref:
Wikidata logo

Chemical ontology


PathwaySuperclassClass
Shikimates and PhenylpropanoidsFlavonoidsChalcones

Molecular Properties

Total atom number58
Heavy atom number30
Bond count31
Number of carbons25
Minimal number of rings2
Maximal number of rings2

Molecular Descriptors

NP-likeness score 1.02
Alogp6.35
Alogp240.27
Apol 66.6802
Bpol 31.5678
EccentricConnectivityIndexDescriptor 755
FmfDescriptor 0.5
Fsp3 0.24
FragmentComplexityDescriptor 2611.05
PetitjeanNumber 0.5
LipinskiRuleOf5Failures 1
WienerPathNumber2779
Xlogp 6.15
ZagrebIndex 148
TopoPSA 97.99