Summary

IMPPAT Phytochemical identifier: IMPHY016027

Phytochemical name: trans-Sabinene hydrate

Synonymous chemical names:
(e)-sabinenhydrate, irans-sabinene hydrate, linalool + trans-sabinene hydrate, rrans-sabinene hydrate, rruns-sabinenehydrate, rruns-sahinene hydrate, sabinene, trans hydrate, sabinene-trans-hydrate, trans- sabinene hydrate, trans-sa binene hydrate, trans-sabinene hydrate, trans-sabinene hydrat, trans-sabinene hydrate, trans-sabinene hydrate(trans rel.to oh vs. ipp), trans-sabinene hydrate*, trans-sabinene hyrate, trans-sabinenhydrate, trans‐sabinene hydrate

External chemical identifiers:
CID:12315151

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Chemical structure information

SMILES:
CC([C@@]12CC[C@](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/t8?,9-,10+/m0/s1

InChIKey:
KXSDPILWMGFJMM-CBMCFHRWSA-N

DeepSMILES:
CC[C@]CC[C@]C5C6))C)O)))))C

Functional groups:
CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CC2CC2C1

Scaffold Graph/Node level:
C1CC2CC2C1

Scaffold Graph level:
C1CC2CC2C1

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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

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Chemical structure download