Summary

IMPPAT Phytochemical identifier: IMPHY014874

Phytochemical name: cis-Sabinene hydrate

Synonymous chemical names:
c/s-sabinene hydrate, cis -sabinene hydrate, cis-hydrate sabinene, cis-sabinene hydrate, cis-sabinene hydrate + octanol, cis-sabinene hydrate(cis rel. to oh vs. ipp), cis-sabinene hydrate*, cis-sabinene hydrate/linalool, cis-sabinene hydratea, cis-sbinene hydrate, cissabinene hydrate, cis‐sabinene hydrate, cis–sabinene hydrate, ciα- aabinenehydrate*, linalool + cis-sabinene hydrate, linalool+cis sabinene hydrate, sabinene hydrate (cis), sabinene, cis hydrate, sabinene, cis, hydrate, sabinene-cis-hydrate

External chemical identifiers:
CID:101629835

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Chemical structure information

SMILES:
C[C@@H]1CC[C@@]2(C1C2)C(C)C

InChI:
InChI=1S/C10H18/c1-7(2)10-5-4-8(3)9(10)6-10/h7-9H,4-6H2,1-3H3/t8-,9?,10+/m1/s1

InChIKey:
GCTNBVHDRFKLLK-FIBVVXLUSA-N

DeepSMILES:
C[C@@H]CC[C@@]C5C3))CC)C

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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: 2.87

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Chemical structure download