Summary

IMPPAT Phytochemical identifier: IMPHY002103

Phytochemical name: Himachalol

Synonymous chemical names:
(-himachalol, himachalol

External chemical identifiers:
CID:121536, ChEBI:5719, SureChEMBL:SCHEMBL2854768

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Chemical structure information

SMILES:
CC1=C[C@H]2[C@@H](CC1)[C@](C)(O)CCCC2(C)C

InChI:
InChI=1S/C15H26O/c1-11-6-7-12-13(10-11)14(2,3)8-5-9-15(12,4)16/h10,12-13,16H,5-9H2,1-4H3/t12-,13+,15-/m1/s1

InChIKey:
BBAMLNIPVMLTSQ-VNHYZAJKSA-N

DeepSMILES:
CC=C[C@H][C@@H]CC6))[C@]C)O)CCCC7C)C

Functional groups:
CC(C)=CC, CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CC2CCCCCC2CC1

Scaffold Graph/Node level:
C1CCC2CCCCC2CC1

Scaffold Graph level:
C1CCC2CCCCC2CC1

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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: Himachalane sesquiterpenoids

NP-Likeness score: 3.139

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Chemical structure download