26-carboxylyngbyatoxin A

AlkaPlorer ID: AK104157

Synonym: None

IUPAC Name: (2E,6R)-6-[(10S,13S)-13-(hydroxymethyl)-9-methyl-11-oxo-10-propan-2-yl-3,9,12-triazatricyclo[6.6.1.04,15]pentadeca-1,4,6,8(15)-tetraen-5-yl]-2,6-dimethylocta-2,7-dienoic acid

Structure

SMILES: C=C[C@@](C)(CC/C=C(\C)C(=O)O)C1=CC=C2C3=C1NC=C3C[C@@H](CO)N=C(O)[C@H](C(C)C)N2C

copy

InChI: InChI=1S/C27H37N3O4/c1-7-27(5,12-8-9-17(4)26(33)34)20-10-11-21-22-18(14-28-23(20)22)13-19(15-31)29-25(32)24(16(2)3)30(21)6/h7,9-11,14,16,19,24,28,31H,1,8,12-13,15H2,2-6H3,(H,29,32)(H,33,34)/b17-9+/t19-,24-,27-/m0/s1

copy

InChIKey: OGEVXSGZCJIXOY-ZLAQPCIMSA-N

copy

Properties Information

Molecule Weight: 467.6100000000002

TPSA: 109.15

MolLogP: 4.757000000000003

Number of H-Donors: 4

Number of H-Acceptors: 4

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information