Summary

IMPPAT Phytochemical identifier: IMPHY013432

Phytochemical name: Pongamoside C

Synonymous chemical names:
pongamoside c

External chemical identifiers:
CID:44258691

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Chemical structure information

SMILES:
OCC1O[C@@H](Oc2cc3c(=O)c(OC)c(oc3c3c2occ3)c2ccccc2)C([C@H]([C@@H]1O)O)O

InChI:
InChI=1S/C24H22O10/c1-30-23-16(26)13-9-14(32-24-19(29)18(28)17(27)15(10-25)33-24)22-12(7-8-31-22)21(13)34-20(23)11-5-3-2-4-6-11/h2-9,15,17-19,24-25,27-29H,10H2,1H3/t15?,17-,18+,19?,24-/m1/s1

InChIKey:
ADILGNQVWRXLRO-QJSLQCFLSA-N

DeepSMILES:
OCCO[C@@H]Occcc=O)cOC))coc6cc%10occ5)))))))cccccc6)))))))))))))C[C@H][C@@H]6O))O))O

Functional groups:
CO, c=O, cOC, cO[C@@H](C)OC, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1cc(-c2ccccc2)oc2c1cc(OC1CCCCO1)c1occc12

Scaffold Graph/Node level:
OC1CC(C2CCCCC2)OC2C1CC(OC1CCCCO1)C1OCCC12

Scaffold Graph level:
CC1CC(C2CCCCC2)CC2C1CC(CC1CCCCC1)C1CCCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Flavonoids

ClassyFire Subclass: Flavonoid glycosides

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Flavonols

NP-Likeness score: 1.696

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Chemical structure download