Summary

IMPPAT Phytochemical identifier: IMPHY001464

Phytochemical name: Ponganone VIII

Synonymous chemical names:
ponganone 8, ponganone viii

External chemical identifiers:
CID:15160709

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Chemical structure information

SMILES:
COC(c1ccc2c(c1)OCO2)CC(=O)c1cc(OC)c2c(c1OC)C=CC(O2)(C)C

InChI:
InChI=1S/C24H26O7/c1-24(2)9-8-15-22(28-5)16(11-21(27-4)23(15)31-24)17(25)12-19(26-3)14-6-7-18-20(10-14)30-13-29-18/h6-11,19H,12-13H2,1-5H3

InChIKey:
UETHJWQOQPORJI-UHFFFAOYSA-N

DeepSMILES:
COCcccccc6)OCO5))))))))CC=O)cccOC))ccc6OC)))C=CCO6)C)C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C(CCc1ccc2c(c1)OCO2)c1ccc2c(c1)C=CCO2

Scaffold Graph/Node level:
OC(CCC1CCC2OCOC2C1)C1CCC2OCCCC2C1

Scaffold Graph level:
CC(CCC1CCC2CCCC2C1)C1CCC2CCCCC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Benzopyrans

ClassyFire Subclass: 1-benzopyrans

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Chalcones

NP-Likeness score: 1.442

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Chemical structure download