Summary

IMPPAT Phytochemical identifier: IMPHY001936

Phytochemical name: Juvocimene I

Synonymous chemical names:
juvocimene i

External chemical identifiers:
CID:11832890, FDASRS:39J8W07X69

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Chemical structure information

SMILES:
C=C/C(=C/C(C=C(C)C)C/C=C/c1ccc(cc1)OC)/C

InChI:
InChI=1S/C20H26O/c1-6-17(4)15-19(14-16(2)3)9-7-8-18-10-12-20(21-5)13-11-18/h6-8,10-15,19H,1,9H2,2-5H3/b8-7+,17-15+

InChIKey:
FNNVIJKTAGXPFS-UCKSHEQNSA-N

DeepSMILES:
C=C/C=C/CC=CC)C)))C/C=C/cccccc6))OC)))))))))))/C

Functional groups:
C=C/C(C)=C/C, CC=C(C)C, c/C=C/C, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccccc1

Scaffold Graph/Node level:
C1CCCCC1

Scaffold Graph level:
C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Monoterpenoids

NP-Likeness score: 1.267

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Chemical structure download