Summary

IMPPAT Phytochemical identifier: IMPHY004488

Phytochemical name: Rhapontigenin

Synonymous chemical names:
rhapontigenin

External chemical identifiers:
CID:5320954, ChEMBL:CHEMBL113029, ChEBI:174376, ZINC:ZINC000026981407, SureChEMBL:SCHEMBL1486816, MolPort-009-019-565

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Chemical structure information

SMILES:
COc1ccc(cc1O)/C=C/c1cc(O)cc(c1)O

InChI:
InChI=1S/C15H14O4/c1-19-15-5-4-10(8-14(15)18)2-3-11-6-12(16)9-13(17)7-11/h2-9,16-18H,1H3/b3-2+

InChIKey:
PHMHDRYYFAYWEG-NSCUHMNNSA-N

DeepSMILES:
COcccccc6O)))/C=C/cccO)ccc6)O

Functional groups:
c/C=C/c, cO, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C(=Cc1ccccc1)c1ccccc1

Scaffold Graph/Node level:
C1CCC(CCC2CCCCC2)CC1

Scaffold Graph level:
C1CCC(CCC2CCCCC2)CC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Stilbenes

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Stilbenoids

NP Classifier Class: Monomeric stilbenes

NP-Likeness score: 0.881

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Chemical structure download