Summary

IMPPAT Phytochemical identifier: IMPHY001462

Phytochemical name: Ponganone IV

Synonymous chemical names:
ponganone 4, ponganone iv

External chemical identifiers:
CID:15160703, ZINC:ZINC000059060275

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Chemical structure information

SMILES:
COc1ccc(cc1OC)[C@@H]1CC(=O)c2c(O1)c1C=CC(Oc1c(c2)OC)(C)C

InChI:
InChI=1S/C23H24O6/c1-23(2)9-8-14-21-15(11-20(27-5)22(14)29-23)16(24)12-18(28-21)13-6-7-17(25-3)19(10-13)26-4/h6-11,18H,12H2,1-5H3/t18-/m0/s1

InChIKey:
GEIXOHJDUNAJMC-SFHVURJKSA-N

DeepSMILES:
COcccccc6OC))))[C@@H]CC=O)ccO6)cC=CCOc6cc%10)OC)))))C)C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CC(c2ccccc2)Oc2c1ccc1c2C=CCO1

Scaffold Graph/Node level:
OC1CC(C2CCCCC2)OC2C1CCC1OCCCC12

Scaffold Graph level:
CC1CC(C2CCCCC2)CC2C1CCC1CCCCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Flavonoids

ClassyFire Subclass: Pyranoflavonoids

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Flavanones

NP-Likeness score: 1.82

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Chemical structure download