Summary

IMPPAT Phytochemical identifier: IMPHY012691

Phytochemical name: Senkyunolide A

Synonymous chemical names:
sedanenolide, senkyunolide

External chemical identifiers:
CID:3085257, ZINC:ZINC000005822220, FDASRS:74QZK813SO, SureChEMBL:SCHEMBL13053469, MolPort-027-720-911

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Chemical structure information

SMILES:
CCCC[C@@H]1OC(=O)C2=C1CCC=C2

InChI:
InChI=1S/C12H16O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h5,7,11H,2-4,6,8H2,1H3/t11-/m0/s1

InChIKey:
ZPIKVDODKLJKIN-NSHDSACASA-N

DeepSMILES:
CCCC[C@@H]OC=O)C=C5CCC=C6

Functional groups:
O=C1OCC2=C1C=CCC2

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1OCC2=C1C=CCC2

Scaffold Graph/Node level:
OC1OCC2CCCCC21

Scaffold Graph level:
CC1CCC2CCCCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Isobenzofurans

NP Classifier Biosynthetic pathway: Polyketides

NP Classifier Superclass: Cyclic polyketides

NP Classifier Class: Phthalide derivatives

NP-Likeness score: 2.483

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Chemical structure download