Summary

IMPPAT Phytochemical identifier: IMPHY008832

Phytochemical name: Nardostachone

Synonymous chemical names:
nardostachone

Chemical structure information

SMILES:
O=C1C=C(C)C2(C(=C1)C=C[C@H](C2)C(C)C)C

InChI:
InChI=1S/C15H20O/c1-10(2)12-5-6-13-8-14(16)7-11(3)15(13,4)9-12/h5-8,10,12H,9H2,1-4H3/t12-,15?/m1/s1

InChIKey:
YKYFDKNMHUSVIH-KEKZHRQWSA-N

DeepSMILES:
O=CC=CC)CC=C6)C=C[C@H]C6)CC)C))))))C

Functional groups:
CC1=CC(=O)C=C(C=CC)C1

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=CC2CCC=CC2=C1

Scaffold Graph/Node level:
OC1CCC2CCCCC2C1

Scaffold Graph level:
CC1CCC2CCCCC2C1

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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: Cadinane sesquiterpenoids

NP-Likeness score: 2.702

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Chemical structure download