Summary

IMPPAT Phytochemical identifier: IMPHY003033

Phytochemical name: Ponganone V

Synonymous chemical names:
ponganone 5, ponganone v

External chemical identifiers:
CID:42607830, ZINC:ZINC000014728368

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Chemical structure information

SMILES:
COc1cc2O[C@@H](CC(=O)c2cc1OCC=C(C)C)c1ccc2c(c1)OCO2

InChI:
InChI=1S/C22H22O6/c1-13(2)6-7-25-22-9-15-16(23)10-18(28-19(15)11-20(22)24-3)14-4-5-17-21(8-14)27-12-26-17/h4-6,8-9,11,18H,7,10,12H2,1-3H3/t18-/m0/s1

InChIKey:
XNGHNFHZIWCLLJ-SFHVURJKSA-N

DeepSMILES:
COcccO[C@@H]CC=O)c6cc%10OCC=CC)C))))))))))cccccc6)OCO5

Functional groups:
CC=C(C)C, c1cOCO1, cC(C)=O, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CC(c2ccc3c(c2)OCO3)Oc2ccccc21

Scaffold Graph/Node level:
OC1CC(C2CCC3OCOC3C2)OC2CCCCC12

Scaffold Graph level:
CC1CC(C2CCC3CCCC3C2)CC2CCCCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Flavonoids

ClassyFire Subclass: O-methylated flavonoids

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Flavanones

NP-Likeness score: 1.189

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Chemical structure download