Summary

IMPPAT Phytochemical identifier: IMPHY017619

Phytochemical name: trans-Dauc-8-en-4beta-ol

Synonymous chemical names:
trans-dauc-8-en-4-β-ol

External chemical identifiers:
CID:6429138

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Chemical structure information

SMILES:
CC1=CC[C@]2(C(CC1)[C@@](O)(CC2)C(C)C)C

InChI:
InChI=1S/C15H26O/c1-11(2)15(16)10-9-14(4)8-7-12(3)5-6-13(14)15/h7,11,13,16H,5-6,8-10H2,1-4H3/t13?,14-,15-/m1/s1

InChIKey:
HTJLBKLQZZOCAC-JVIGXAJISA-N

DeepSMILES:
CC=CC[C@]CCC7))[C@@]O)CC5))CC)C))))C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CCC2CCCC2CC1

Scaffold Graph/Node level:
C1CCC2CCCC2CC1

Scaffold Graph level:
C1CCC2CCCC2CC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Sesquiterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Daucane sesquiterpenoids

NP-Likeness score: 3.358

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Chemical structure download