Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID015971

Phytochemical name: (Z)-Nuciferol acetate

Synonymous chemical names:
(z)-nuciferol acetate

External chemical identifiers:
CID:CID_91746484

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Chemical structure information

SMILES:
CC(=O)OC/C(=C\CCC(c1ccc(cc1)C)C)/C

InChI:
InChI=1S/C17H24O2/c1-13-8-10-17(11-9-13)15(3)7-5-6-14(2)12-19-16(4)18/h6,8-11,15H,5,7,12H2,1-4H3/b14-6-

InChIKey:
MGCGLWILILAXQZ-NSIKDUERSA-N

DeepSMILES:
CC=O)OC/C=C\CCCcccccc6))C)))))C)))))/C

Functional groups:
COC(C)=O, C/C=C(\C)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccccc1

Scaffold Graph/Node level:
C1CCCCC1

Scaffold Graph level:
C1CCCCC1

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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: Bisabolane sesquiterpenoids

NP-Likeness score: 1.067

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Chemical structure download