Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID000617

Phytochemical name: Sabinene hydrate

Synonymous chemical names:
sabinene-cis-hydrate, cis-hydrate sabinene, sabinene hydrate (trans), cissabinene hydrate, cis-sbinene hydrate, sabinene hydrate-1, linalool+cis sabinene hydrate, cis-sabinene hydrate/linalool, cis -sabinene hydrate, c/s-sabinene hydrate, sabinene hydrate, linalool + cis-sabinene hydrate, sabinene, cis, hydrate, 2-Methyl-5-(1-methylethyl)bicyclo(3.1.0)hexan-2-ol, sabine hydrate, cis-sabinene hydratea, cis–sabinene hydrate, sabinene hydrate, cis-sabinene hydrate + octanol, sabinene, cis hydrate, (1S,2R,5R)-2-methyl-5-propan-2-ylbicyclo[3.1.0]hexan-2-ol, cis-sabinene hydrate*, sabinene hydrate (cis), cis-sabinene hydrate, sabinene hydrate*, ciα- aabinenehydrate*, cis‐sabinene hydrate, cis-sabinene hydrate(cis rel. to oh vs. ipp)

External chemical identifiers:
CID:CID_62367, CID:CID_11744854, ChEBI:CHEBI:16377, SureChEMBL:SCHEMBL438844

---

Chemical structure information

SMILES:
CC(C12CCC(C2C1)(C)O)C

InChI:
InChI=1S/C10H18O/c1-7(2)10-5-4-9(3,11)8(10)6-10/h7-8,11H,4-6H2,1-3H3

InChIKey:
KXSDPILWMGFJMM-UHFFFAOYSA-N

DeepSMILES:
CCCCCCC5C6))C)O)))))C

Functional groups:
CO

---

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: 3.08

---

Chemical structure download