Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID002440

Phytochemical name: 1,5,7-Octatrien-3-ol, 3,7-dimethyl-, (3R,5E)-

Synonymous chemical names:
hotrienol, 1,5,7-octatrien-3-ol, 3,7-dimethyl-, 1,5,7-Octatrien-3-ol, 3,7-dimethyl-, (3R,5E)-, ho-trienol, 1,5,7-octatrien-3-ol,3,7-dimethyl-

External chemical identifiers:
CID:CID_40510009, ZINC:ZINC000005158140, FDASRS:V6J1653W94, SureChEMBL:SCHEMBL18338896

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Chemical structure information

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

InChI:
InChI=1S/C10H16O/c1-5-10(4,11)8-6-7-9(2)3/h5-7,11H,1-2,8H2,3-4H3/b7-6+/t10-/m0/s1

InChIKey:
ZJIQIJIQBTVTDY-FGEFZZPRSA-N

DeepSMILES:
C=C[C@@]C/C=C/C=C)C)))))O)C

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

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Alcohols and polyols

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Acyclic monoterpenoids

NP-Likeness score: 2.87

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Chemical structure download