Summary

IMPPAT Phytochemical identifier: IMPHY013725

Phytochemical name: Nardosinonediol

Synonymous chemical names:
nardosinonediol

External chemical identifiers:
CID:134715257

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Chemical structure information

SMILES:
O[C@@H]1CC(=O)C2=CCC[C@H]([C@@]2(C1C(O)(C)C)C)C

InChI:
InChI=1S/C15H24O3/c1-9-6-5-7-10-11(16)8-12(17)13(14(2,3)18)15(9,10)4/h7,9,12-13,17-18H,5-6,8H2,1-4H3/t9-,12-,13?,15+/m1/s1

InChIKey:
DBDGFZLAYDIKSV-ZGEJAQKFSA-N

DeepSMILES:
O[C@@H]CC=O)C=CCC[C@H][C@@]6C%10CO)C)C)))C))C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CCCC2CCCC=C12

Scaffold Graph/Node level:
OC1CCCC2CCCCC12

Scaffold Graph level:
CC1CCCC2CCCCC12

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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: Nardosinane sesquiterpenoids

NP-Likeness score: 3.011

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Chemical structure download