Summary

IMPPAT Phytochemical identifier: IMPHY006367

Phytochemical name: Variabilin

Synonymous chemical names:
variabilin

External chemical identifiers:
CID:54678431, ChEMBL:CHEMBL463244, SureChEMBL:SCHEMBL4116811

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Chemical structure information

SMILES:
C/C(=CCC/C(=C/CCc1cocc1)/C)/CCCC(/C=C/1OC(=O)C(=C1O)C)C

InChI:
InChI=1S/C25H34O4/c1-18(8-5-9-19(2)11-7-13-22-14-15-28-17-22)10-6-12-20(3)16-23-24(26)21(4)25(27)29-23/h8,11,14-17,20,26H,5-7,9-10,12-13H2,1-4H3/b18-8+,19-11+,23-16-

InChIKey:
HPVSJNGZYYDDMU-FECKPXKMSA-N

DeepSMILES:
C/C=CCC/C=C/CCccocc5))))))))/C)))))/CCCC/C=COC=O)C=C5O))C))))))C

Functional groups:
C/C=C(/C)C, C/C=C1OC(=O)C(C)=C1O, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=CC(=CCCCCC=CCCC=CCCc2ccoc2)O1

Scaffold Graph/Node level:
OC1CCC(CCCCCCCCCCCCCC2CCOC2)O1

Scaffold Graph level:
CC1CCC(CCCCCCCCCCCCCC2CCCC2)C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Terpene lactones

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesterterpenoids

NP Classifier Class: Linear sesterterpenoids

NP-Likeness score: 2.508

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Chemical structure download