Summary

IMPPAT Phytochemical identifier: IMPHY016063

Phytochemical name: 2-Dodecen-1-ylsuccinic anhydride

Synonymous chemical names:
(2-dodecen-1-yl succinic anhydride

External chemical identifiers:
CID:5362708, ChEMBL:CHEMBL87310, FDASRS:S63TTA7G5P, SureChEMBL:SCHEMBL714069, MolPort-001-760-741

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Chemical structure information

SMILES:
CCCCCCCCC/C=C/CC1CC(=O)OC1=O

InChI:
InChI=1S/C16H26O3/c1-2-3-4-5-6-7-8-9-10-11-12-14-13-15(17)19-16(14)18/h10-11,14H,2-9,12-13H2,1H3/b11-10+

InChIKey:
UYCICMIUKYEYEU-ZHACJKMWSA-N

DeepSMILES:
CCCCCCCCC/C=C/CCCC=O)OC5=O

Functional groups:
C/C=C/C, O=C1CCC(=O)O1

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CCC(=O)O1

Scaffold Graph/Node level:
OC1CCC(O)O1

Scaffold Graph level:
CC1CCC(C)C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic acids and derivatives

ClassyFire Class: Carboxylic acids and derivatives

ClassyFire Subclass: Dicarboxylic acids and derivatives

NP Classifier Biosynthetic pathway: Fatty acids

NP-Likeness score: 1.592

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Chemical structure download