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Leualacin

AlkaPlorer ID: AK094907

Synonym: None

IUPAC Name: (2R,5S,8S,11S)-11-benzyl-10-methyl-2,5,8-tris(2-methylpropyl)-1,7-dioxa-4,10,13-triazacyclohexadecane-3,6,9,12,16-pentone

Structure

SMILES: CC(C)C[C@@H]1NC(=O)[C@@H](CC(C)C)OC(=O)CCNC(=O)[C@H](CC2=CC=CC=C2)N(C)C(=O)[C@H](CC(C)C)OC1=O

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InChI: InChI=1S/C31H47N3O7/c1-19(2)15-23-31(39)41-26(17-21(5)6)30(38)34(7)24(18-22-11-9-8-10-12-22)28(36)32-14-13-27(35)40-25(16-20(3)4)29(37)33-23/h8-12,19-21,23-26H,13-18H2,1-7H3,(H,32,36)(H,33,37)/t23-,24-,25+,26-/m0/s1

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InChIKey: HHNHRFWUTDSIPH-SSUZURRFSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
None Hapsidospora None Hypocreales Sordariomycetes Ascomycota Fungi Eukaryota

Properties Information

Molecule Weight: 573.7310000000001

TPSA？: 131.11

MolLogP？: 3.022700000000002

Number of H-Donors: 2

Number of H-Acceptors: 7

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Rattus norvegicus Rattus norvegicus Vasodilatory rate 26.8 % 10.1016/s0960-894x(99)00038-4
Rattus norvegicus Rattus norvegicus Vasodilatory rate 64.4 % 10.1016/s0960-894x(99)00038-4
Rattus norvegicus Rattus norvegicus Vasodilatory rate 66.5 % 10.1016/s0960-894x(99)00038-4
Rattus norvegicus Rattus norvegicus Vasodilatory rate nan None 10.1016/s0960-894x(99)00038-4
None Unchecked Amount of TXB2 formation 39.4 ng ml-1 10.1016/s0960-894x(99)00038-4
None Unchecked Amount of TXB2 formation 55.4 ng ml-1 10.1016/s0960-894x(99)00038-4
None Unchecked IC50 50000.0 nM 10.1016/s0960-894x(99)00038-4
None Unchecked IC50 150000.0 nM 10.1016/s0960-894x(99)00038-4

Metabolism Information