Summary

IMPPAT Phytochemical identifier: IMPHY017886

Phytochemical name: (Z)-Nuciferol isobutyrate

Synonymous chemical names:
(z) nuciferol isobutyrate, (z)-nuciferol isobutyrate

External chemical identifiers:
CID:91753655

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Chemical structure information

SMILES:
C/C(=C/CCC(c1ccc(cc1)C)C)/COC(=O)C(C)C

InChI:
InChI=1S/C19H28O2/c1-14(2)19(20)21-13-16(4)7-6-8-17(5)18-11-9-15(3)10-12-18/h7,9-12,14,17H,6,8,13H2,1-5H3/b16-7-

InChIKey:
KGLMNOPKEMTZSH-APSNUPSMSA-N

DeepSMILES:
C/C=C/CCCcccccc6))C)))))C)))))/COC=O)CC)C

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

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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: 0.869

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Chemical structure download