Summary

IMPPAT Phytochemical identifier: IMPHY010165

Phytochemical name: 3,4-Dihydro-2-(4-hydroxyphenyl)-2h-1-benzopyran-3,4,7,8-tetrol

Synonymous chemical names:
fistucacidin

External chemical identifiers:
CID:5317352

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Chemical structure information

SMILES:
Oc1ccc(cc1)C1Oc2c(C(C1O)O)ccc(c2O)O

InChI:
InChI=1S/C15H14O6/c16-8-3-1-7(2-4-8)14-13(20)11(18)9-5-6-10(17)12(19)15(9)21-14/h1-6,11,13-14,16-20H

InChIKey:
JSZRJOLRIBESNT-UHFFFAOYSA-N

DeepSMILES:
Occcccc6))COccCC6O))O))cccc6O))O

Functional groups:
CO, cO, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc(C2CCc3ccccc3O2)cc1

Scaffold Graph/Node level:
C1CCC(C2CCC3CCCCC3O2)CC1

Scaffold Graph level:
C1CCC(C2CCC3CCCCC3C2)CC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Flavonoids

ClassyFire Subclass: Flavans

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Flavandiols (Leucoanthocyanidins)

NP-Likeness score: 2.165

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Chemical structure download