Summary

IMPPAT Phytochemical identifier: IMPHY006158

Phytochemical name: Hydnocarpin

Synonymous chemical names:
hydnocarpin

External chemical identifiers:
CID:5489114

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Chemical structure information

SMILES:
OCC1Oc2cc(ccc2OC1c1ccc(c(c1)OC)O)c1cc(=O)c2c(o1)cc(cc2O)O

InChI:
InChI=1S/C25H20O9/c1-31-20-7-13(2-4-15(20)28)25-23(11-26)33-21-6-12(3-5-18(21)34-25)19-10-17(30)24-16(29)8-14(27)9-22(24)32-19/h2-10,23,25-29H,11H2,1H3

InChIKey:
NMICSFNNFDNGEL-UHFFFAOYSA-N

DeepSMILES:
OCCOcccccc6OC%10cccccc6)OC)))O))))))))))ccc=O)cco6)cccc6O)))O

Functional groups:
CO, c=O, cO, cOC, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1cc(-c2ccc3c(c2)OCC(c2ccccc2)O3)oc2ccccc12

Scaffold Graph/Node level:
OC1CC(C2CCC3OC(C4CCCCC4)COC3C2)OC2CCCCC12

Scaffold Graph level:
CC1CC(C2CCC3CC(C4CCCCC4)CCC3C2)CC2CCCCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lignans, neolignans and related compounds

ClassyFire Class: Flavonolignans

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Lignans, Flavonoids

NP Classifier Class: Flavones, Flavonolignans

NP-Likeness score: 1.727

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Chemical structure download