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name Structure Reference Source Properties Activities Metabolism

(2S,5R,6S,10S)-18-(methoxycarbonyl)-2,6-dimethyl-21-oxo-14-oxa-8λ⁵-azahexacyclo[11.6.1.1⁵,¹⁹.0²,¹⁰.0³,⁸.0¹⁷,²⁰]henicosa-1(19),3(8),13(20),17-tetraen-8-ylium

AlkaPlorer ID: AK387623

Synonym: None

IUPAC Name: methyl (2S,5R,6S,10S)-2,6-dimethyl-21-oxo-14-oxa-8-azoniahexacyclo[11.6.1.15,19.02,10.03,8.017,20]henicosa-1(19),3(8),13(20),17-tetraene-18-carboxylate

Structure

SMILES: COC(=O)C1=C2CCOC3=C2C2=C1C(=O)[C@@H]1CC4=[N+](C[C@@H](CC3)[C@@]24C)C[C@H]1C

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InChI: InChI=1S/C23H26NO4/c1-11-9-24-10-12-4-5-15-17-13(6-7-28-15)18(22(26)27-3)19-20(17)23(12,2)16(24)8-14(11)21(19)25/h11-12,14H,4-10H2,1-3H3/q+1/t11-,12-,14-,23-/m1/s1

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InChIKey: GHAJOEJNOSUFBO-LDZJFQBWSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain

Properties Information

Molecule Weight: 380.4640000000002

TPSA？: 55.61

MolLogP？: 2.5627000000000004

Number of H-Donors: 0

Number of H-Acceptors: 4

RingCount: 6

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information