Palinurine A

AlkaPlorer ID: AK078800

Synonym: None

IUPAC Name: 1-(2-hydroxyethyl)-4-[13-(3-hydroxy-4-methyl-5-oxo-2H-furan-2-yl)-4,8,12-trimethyltrideca-4,6,11-trienyl]-2H-pyrrol-5-one

Structure

SMILES: CC(=CC=CC(C)CCC=C(C)CC1OC(=O)C(C)=C1O)CCCC1=CCN(CCO)C1=O

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InChI: InChI=1S/C27H39NO5/c1-19(10-6-12-21(3)18-24-25(30)22(4)27(32)33-24)8-5-9-20(2)11-7-13-23-14-15-28(16-17-29)26(23)31/h5,8-9,12,14,19,24,29-30H,6-7,10-11,13,15-18H2,1-4H3

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InChIKey: KNJJEUYRANFJDH-UHFFFAOYSA-N

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Reference

PubChem CID: 76173808

COCONUT: CNP0105665

Source

Properties Information

Molecule Weight: 457.6110000000004

TPSA: 87.07

MolLogP: 4.930200000000005

Number of H-Donors: 2

Number of H-Acceptors: 5

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information