Summary

IMPPAT Phytochemical identifier: IMPHY009841

Phytochemical name: Labda-8,14-dien-13-ol

Synonymous chemical names:
labda-8,14-dien-13-ol

External chemical identifiers:
CID:15559976

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Chemical structure information

SMILES:
C=C[C@@](CCC1=C(C)CC[C@@H]2[C@]1(C)CCCC2(C)C)(O)C

InChI:
InChI=1S/C20H34O/c1-7-19(5,21)14-11-16-15(2)9-10-17-18(3,4)12-8-13-20(16,17)6/h7,17,21H,1,8-14H2,2-6H3/t17-,19-,20+/m0/s1

InChIKey:
UHEFGGUIARHISN-YSIASYRMSA-N

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

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CC2CCCCC2CC1

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: 3.063

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Chemical structure download