Summary

IMPPAT Phytochemical identifier: IMPHY001621

Phytochemical name: (2S,3E,6S)-3,7-Dimethyl-3-octene-1,2,6,7-tetrol

Synonymous chemical names:
6 monoterpenoid glycosides 3,7-dimethyloct-3(10)-ene-1,2,6,7-tetrol

External chemical identifiers:
CID:15885844, ZINC:ZINC000015120789

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Chemical structure information

SMILES:
OC[C@H](/C(=C/C[C@@H](C(O)(C)C)O)/C)O

InChI:
InChI=1S/C10H20O4/c1-7(8(12)6-11)4-5-9(13)10(2,3)14/h4,8-9,11-14H,5-6H2,1-3H3/b7-4+/t8-,9+/m1/s1

InChIKey:
QJGNMNVVLILWRD-CNTVWIKJSA-N

DeepSMILES:
OC[C@H]/C=C/C[C@@H]CO)C)C))O))))/C))O

Functional groups:
C/C=C(C)C, CO

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Fatty acyls

ClassyFire Subclass: Fatty alcohols

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Acyclic monoterpenoids

NP-Likeness score: 2.77

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Chemical structure download