Summary

IMPPAT Phytochemical identifier: IMPHY005835

Phytochemical name: Filicinic acid

Synonymous chemical names:
filicinic acid

External chemical identifiers:
CID:550690

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Chemical structure information

SMILES:
OC1=CC(=O)C(C(=C1)O)(C)C

InChI:
InChI=1S/C8H10O3/c1-8(2)6(10)3-5(9)4-7(8)11/h3-4,9-10H,1-2H3

InChIKey:
ZAQQZMZXYOTJAB-UHFFFAOYSA-N

DeepSMILES:
OC=CC=O)CC=C6)O))C)C

Functional groups:
O=C1C=C(O)C=C(O)C1

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=CC=CC1

Scaffold Graph/Node level:
OC1CCCCC1

Scaffold Graph level:
CC1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic acids and derivatives

ClassyFire Class: Vinylogous acids

NP Classifier Biosynthetic pathway: Polyketides

NP Classifier Superclass: Cyclic polyketides

NP Classifier Class: Simple cyclic polyketides

NP-Likeness score: 1.463

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Chemical structure download