Summary

IMPPAT Phytochemical identifier: IMPHY008138

Phytochemical name: Platanin

Synonymous chemical names:
platanin

External chemical identifiers:
CID:627136

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Chemical structure information

SMILES:
Oc1c(C)c(O)c2c(c1O)oc(c(c2=O)O)c1ccccc1

InChI:
InChI=1S/C16H12O6/c1-7-10(17)9-12(19)14(21)15(8-5-3-2-4-6-8)22-16(9)13(20)11(7)18/h2-6,17-18,20-21H,1H3

InChIKey:
JPYBEETXHUPGHX-UHFFFAOYSA-N

DeepSMILES:
OccC)cO)ccc6O))occc6=O))O))cccccc6

Functional groups:
c=O, cO, 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: Flavones

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Flavonols

NP-Likeness score: 1.514

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Chemical structure download