Summary

IMPPAT Phytochemical identifier: IMPHY017844

Phytochemical name: Labd-7,13-dien-15-ol

Synonymous chemical names:
labd-7,13-dien-15-ol

External chemical identifiers:
CID:91747910

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Chemical structure information

SMILES:
OC/C=C(/CCC1C(=CCC2[C@]1(C)CCCC2(C)C)C)C

InChI:
InChI=1S/C20H34O/c1-15(11-14-21)7-9-17-16(2)8-10-18-19(3,4)12-6-13-20(17,18)5/h8,11,17-18,21H,6-7,9-10,12-14H2,1-5H3/b15-11+/t17?,18?,20-/m1/s1

InChIKey:
KPOGKOXAZMFZNM-WVBODJPCSA-N

DeepSMILES:
OC/C=C/CCCC=CCC[C@]6C)CCCC6C)C)))))))))C)))))C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CCC2CCCCC2C1

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: 3.337

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Chemical structure download