Summary

IMPPAT Phytochemical identifier: IMPHY002234

Phytochemical name: Nardol

Synonymous chemical names:
nardol

External chemical identifiers:
CID:101286216

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Chemical structure information

SMILES:
CC([C@@H]1CCC(=C)[C@H]2[C@@H](C1)[C@](C)(O)CC2)C

InChI:
InChI=1S/C15H26O/c1-10(2)12-6-5-11(3)13-7-8-15(4,16)14(13)9-12/h10,12-14,16H,3,5-9H2,1-2,4H3/t12-,13+,14-,15-/m1/s1

InChIKey:
PFCPFINCEOMQFY-LXTVHRRPSA-N

DeepSMILES:
CC[C@@H]CCC=C)[C@H][C@@H]C7)[C@]C)O)CC5)))))))))C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CCCCC2CCCC12

Scaffold Graph/Node level:
CC1CCCCC2CCCC12

Scaffold Graph level:
CC1CCCCC2CCCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Sesquiterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Guaiane sesquiterpenoids

NP-Likeness score: 3.022

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Chemical structure download