Summary

IMPPAT Phytochemical identifier: IMPHY010663

Phytochemical name: Methyl communate

Synonymous chemical names:
methyl communate

Chemical structure information

SMILES:
COC(=O)C1(C)CCCC2(C1CCC(=C)C2C/C=C(/C=C)C)C

InChI:
InChI=1S/C21H32O2/c1-7-15(2)9-11-17-16(3)10-12-18-20(17,4)13-8-14-21(18,5)19(22)23-6/h7,9,17-18H,1,3,8,10-14H2,2,4-6H3/b15-9+

InChIKey:
WYJKGKPQXWDIQP-OQLLNIDSSA-N

DeepSMILES:
COC=O)CC)CCCCC6CCC=C)C6C/C=C/C=C))C)))))))))C

Functional groups:
C=C(C)C, C=C/C(C)=C/C, COC(C)=O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CCC2CCCCC2C1

Scaffold Graph/Node level:
CC1CCC2CCCCC2C1

Scaffold Graph level:
CC1CCC2CCCCC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Diterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Diterpenoids

NP Classifier Class: Labdane diterpenoids, Norlabdane diterpenoids

NP-Likeness score: 3.096

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Chemical structure download