Summary

IMPPAT Phytochemical identifier: IMPHY012635

Phytochemical name: Procerin

Synonymous chemical names:
procerin

External chemical identifiers:
CID:594578, FDASRS:GE92PBK71X, SureChEMBL:SCHEMBL5437835

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Chemical structure information

SMILES:
CC(=CCc1ccc(c(=O)cc1C(=C)C)O)C

InChI:
InChI=1S/C15H18O2/c1-10(2)5-6-12-7-8-14(16)15(17)9-13(12)11(3)4/h5,7-9H,3,6H2,1-2,4H3,(H,16,17)

InChIKey:
JGONUWOERJCFMF-UHFFFAOYSA-N

DeepSMILES:
CC=CCccccc=O)cc7C=C)C)))))O)))))))C

Functional groups:
CC=C(C)C, c=O, cC(=C)C, cO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1cccccc1

Scaffold Graph/Node level:
OC1CCCCCC1

Scaffold Graph level:
CC1CCCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Hydrocarbon derivatives

ClassyFire Class: Tropones

ClassyFire Subclass: Tropolones

NP Classifier Biosynthetic pathway: Polyketides, Terpenoids

NP Classifier Superclass: Meroterpenoids

NP Classifier Class: Tetraketide meroterpenoids

NP-Likeness score: 1.677

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Chemical structure download