Summary

IMPPAT Phytochemical identifier: IMPHY008701

Phytochemical name: 3,3,6-Trimethylhepta-1,5-dien-4-ol

Synonymous chemical names:
3,3,6-trimethyl-hepta-1,5-dien-4-ol, artemisia alcohol

External chemical identifiers:
CID:100197, SureChEMBL:SCHEMBL309975

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Chemical structure information

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

InChI:
InChI=1S/C10H18O/c1-6-10(4,5)9(11)7-8(2)3/h6-7,9,11H,1H2,2-5H3

InChIKey:
WPPVSYVQAKQNJK-UHFFFAOYSA-N

DeepSMILES:
C=CCCC=CC)C)))O))C)C

Functional groups:
C=CC, CC=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: 2.354

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Chemical structure download