Summary

IMPPAT Phytochemical identifier: IMPHY017826

Phytochemical name: (11E,13Z)-Labdadien-8-ol

Synonymous chemical names:
(11,13)labdadien-8-ol, (11e, 13z)labdadie-n-8-ol

External chemical identifiers:
CID:91747188

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Chemical structure information

SMILES:
C/C=C(/C=C/[C@H]1C(C)(O)CCC2[C@]1(C)CCCC2(C)C)C

InChI:
InChI=1S/C20H34O/c1-7-15(2)9-10-17-19(5)13-8-12-18(3,4)16(19)11-14-20(17,6)21/h7,9-10,16-17,21H,8,11-14H2,1-6H3/b10-9+,15-7+/t16?,17-,19+,20?/m1/s1

InChIKey:
FUOYNUQYIXMTMU-LVAPLMRQSA-N

DeepSMILES:
C/C=C/C=C/[C@H]CC)O)CCC[C@]6C)CCCC6C)C)))))))))))))C

Functional groups:
C/C=C(C)/C=C/C, CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCC2CCCCC2C1

Scaffold Graph/Node level:
C1CCC2CCCCC2C1

Scaffold Graph level:
C1CCC2CCCCC2C1

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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

NP-Likeness score: 3.023

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Chemical structure download