IMPPAT Phytochemical information: 
Sabinene hydrate acetate

Sabinene hydrate acetate
Summary

IMPPAT Phytochemical identifier: IMPHY016029

Phytochemical name: Sabinene hydrate acetate

Synonymous chemical names:
sabinene hydrate acetate

External chemical identifiers:
CID:524255, SureChEMBL:SCHEMBL4915973
Chemical structure information

SMILES:
CC(=O)OC1(C)CCC2(C1C2)C(C)C

InChI:
InChI=1S/C12H20O2/c1-8(2)12-6-5-11(4,10(12)7-12)14-9(3)13/h8,10H,5-7H2,1-4H3

InChIKey:
MYCFGFMJUUNKBN-UHFFFAOYSA-N

DeepSMILES:
CC=O)OCC)CCCC5C3))CC)C

Functional groups:
COC(C)=O
Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CC2CC2C1

Scaffold Graph/Node level:
C1CC2CC2C1

Scaffold Graph level:
C1CC2CC2C1
Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass:
Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Monoterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Thujane monoterpenoids

NP-Likeness score: 3.009


Chemical structure download