Kingianic acid F; 3'',4''-Methylenedioxy, 2-methylpropylamide

AlkaPlorer ID: AK303619

Synonym: Endiandramide A

IUPAC Name: 2-(1,3-benzodioxol-5-ylmethyl)-N-(2-methylpropyl)tetracyclo[8.2.1.03,12.06,11]trideca-4,8-diene-7-carboxamide

Structure

SMILES: CC(C)CNC(=O)C1C=CC2CC3C(CC4=CC=C5OCOC5=C4)C4C=CC1C2C43

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InChI: InChI=1S/C26H31NO3/c1-14(2)12-27-26(28)19-5-4-16-11-21-20(18-7-6-17(19)24(16)25(18)21)9-15-3-8-22-23(10-15)30-13-29-22/h3-8,10,14,16-21,24-25H,9,11-13H2,1-2H3,(H,27,28)

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InChIKey: VJYDYOYYSFAXSI-UHFFFAOYSA-N

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Reference

PubChem CID: 76165992

COCONUT: CNP0273336.2

Source

Properties Information

Molecule Weight: 405.5380000000001

TPSA: 47.56

MolLogP: 4.216500000000004

Number of H-Donors: 1

Number of H-Acceptors: 3

RingCount: 6

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information