Summary

IMPPAT Phytochemical identifier: IMPHY008755

Phytochemical name: Prosogerin C

Synonymous chemical names:
prosogerin c

External chemical identifiers:
CID:44257588, ChEMBL:CHEMBL474167, ZINC:ZINC000002382411

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Chemical structure information

SMILES:
COc1cc2c(=O)cc(oc2cc1OC)c1cc(OC)c(c(c1)OC)OC

InChI:
InChI=1S/C20H20O7/c1-22-16-8-12-13(21)9-14(27-15(12)10-17(16)23-2)11-6-18(24-3)20(26-5)19(7-11)25-4/h6-10H,1-5H3

InChIKey:
PKNYLIKZEGFYRC-UHFFFAOYSA-N

DeepSMILES:
COcccc=O)ccoc6cc%10OC))))))cccOC))ccc6)OC)))OC

Functional groups:
c=O, cOC, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1cc(-c2ccccc2)oc2ccccc12

Scaffold Graph/Node level:
OC1CC(C2CCCCC2)OC2CCCCC12

Scaffold Graph level:
CC1CC(C2CCCCC2)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: Flavones

NP-Likeness score: 0.54

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Chemical structure download