Summary

IMPPAT Phytochemical identifier: IMPHY016345

Phytochemical name: 4-Octene-2,7-diol, 2,7-dimethyl-, Z-

Synonymous chemical names:
2,7-dimethyl-oct-4(z)-ene-2,7-diol, cis-2,7-dimethyi-4-octen-2,7-dioi

External chemical identifiers:
CID:5365382

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Chemical structure information

SMILES:
CC(C/C=CCC(O)(C)C)(O)C

InChI:
InChI=1S/C10H20O2/c1-9(2,11)7-5-6-8-10(3,4)12/h5-6,11-12H,7-8H2,1-4H3/b6-5-

InChIKey:
LQBJEGDVJSXOJN-WAYWQWQTSA-N

DeepSMILES:
CCC/C=CCCO)C)C))))))O)C

Functional groups:
C/C=CC, 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: 0.881

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Chemical structure download