Summary

IMPPAT Phytochemical identifier: IMPHY005033

Phytochemical name: Ampelopsin B

Synonymous chemical names:
ampelopsin b

External chemical identifiers:
CID:5318088, ChEBI:76191

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Chemical structure information

SMILES:
Oc1ccc(cc1)[C@H]1Oc2c3[C@@H]1c1cc(O)cc(c1[C@@H](Cc3cc(c2)O)c1ccc(cc1)O)O

InChI:
InChI=1S/C28H22O6/c29-17-5-1-14(2-6-17)21-10-16-9-19(31)13-24-25(16)27(22-11-20(32)12-23(33)26(21)22)28(34-24)15-3-7-18(30)8-4-15/h1-9,11-13,21,27-33H,10H2/t21-,27-,28+/m0/s1

InChIKey:
JJCVXDDMIRXVJA-YNOBPPCASA-N

DeepSMILES:
Occcccc6))[C@H]Occ[C@@H]5cccO)ccc6[C@@H]Cc%11ccc%15)O)))))cccccc6))O)))))))O

Functional groups:
cO, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc(C2Cc3cccc4c3C(c3ccccc32)C(c2ccccc2)O4)cc1

Scaffold Graph/Node level:
C1CCC(C2CC3CCCC4OC(C5CCCCC5)C(C5CCCCC25)C34)CC1

Scaffold Graph level:
C1CCC(C2CC3CCCC4CC(C5CCCCC5)C(C5CCCCC25)C34)CC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: 2-arylbenzofuran flavonoids

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Stilbenoids

NP Classifier Class: Oligomeric stibenes

NP-Likeness score: 1.552

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Chemical structure download