Summary

IMPPAT Phytochemical identifier: IMPHY009707

Phytochemical name: Santolina alcohol

Synonymous chemical names:
santolina alcohol

External chemical identifiers:
CID:519843, SureChEMBL:SCHEMBL11886111

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Chemical structure information

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

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

InChIKey:
JWGLVEFPXSKNBN-UHFFFAOYSA-N

DeepSMILES:
C=CCCO)C)C))C=CC)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, Irregular monoterpenoids

NP-Likeness score: 1.576

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Chemical structure download