Summary

IMPPAT Phytochemical identifier: IMPHY008286

Phytochemical name: (R)-2,7(14),9-Bisabolatrien-11-ol

Synonymous chemical names:
helianthol a

External chemical identifiers:
CID:101417476

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Chemical structure information

SMILES:
CC1=CCC(CC1)C(=C)C/C=C/C(O)(C)C

InChI:
InChI=1S/C15H24O/c1-12-7-9-14(10-8-12)13(2)6-5-11-15(3,4)16/h5,7,11,14,16H,2,6,8-10H2,1,3-4H3/b11-5+

InChIKey:
UMHJVDDWUSONQN-VZUCSPMQSA-N

DeepSMILES:
CC=CCCCC6))C=C)C/C=C/CO)C)C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CCCCC1

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: Sesquiterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Bisabolane sesquiterpenoids

NP-Likeness score: 2.931

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Chemical structure download