Summary

IMPPAT Phytochemical identifier: IMPHY003994

Phytochemical name: Costol

Synonymous chemical names:
(+)beta costol, (+)β-costol, b-costol, beta-costol, costol

External chemical identifiers:
CID:12304105, ZINC:ZINC000085757107, SureChEMBL:SCHEMBL14189192

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Chemical structure information

SMILES:
OCC(=C)[C@@H]1CC[C@@]2([C@@H](C1)C(=C)CCC2)C

InChI:
InChI=1S/C15H24O/c1-11-5-4-7-15(3)8-6-13(9-14(11)15)12(2)10-16/h13-14,16H,1-2,4-10H2,3H3/t13-,14+,15-/m1/s1

InChIKey:
FKWGZOFNSIESOX-QLFBSQMISA-N

DeepSMILES:
OCC=C)[C@@H]CC[C@@][C@@H]C6)C=C)CCC6)))))C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CCCC2CCCCC12

Scaffold Graph/Node level:
CC1CCCC2CCCCC12

Scaffold Graph level:
CC1CCCC2CCCCC12

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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: Eudesmane sesquiterpenoids

NP-Likeness score: 3.108

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Chemical structure download