Summary

IMPPAT Phytochemical identifier: IMPHY003371

Phytochemical name: Vicodiol

Synonymous chemical names:
vicodiol

External chemical identifiers:
CID:182938

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Chemical structure information

SMILES:
OC[C@@]1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)O

InChI:
InChI=1S/C10H18O2/c1-9-4-3-7(5-8(9)12)10(9,2)6-11/h7-8,11-12H,3-6H2,1-2H3/t7-,8+,9+,10+/m1/s1

InChIKey:
NMQKRFRZSBQYQF-KATARQTJSA-N

DeepSMILES:
OC[C@@]C)[C@@H]CC[C@@]5C)[C@H]C6)O

Functional groups:
CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CC2CCC1C2

Scaffold Graph/Node level:
C1CC2CCC1C2

Scaffold Graph level:
C1CC2CCC1C2

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Monoterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Camphane monoterpenoids

NP-Likeness score: 3.304

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Chemical structure download