Citrinadin C

AlkaPlorer ID: AK035198

Synonym: None

IUPAC Name: [(3R,3'aR,6'S,8'R,9'aR,10'aS)-7-[(2S)-3,3-dimethyloxirane-2-carbonyl]-10'a-hydroxy-1',1',6'-trimethyl-3'a-(methylamino)-2-oxospiro[1H-indole-3,2'-3,4,6,7,8,9,9a,10-octahydrocyclopenta[b]quinolizine]-8'-yl] (2S)-3-methyl-2-(methylamino)butanoate

Structure

SMILES: CN[C@H](C(=O)O[C@H]1C[C@@H]2C[C@]3(O)C(C)(C)[C@]4(C[C@@]3(NC)CN2[C@@H](C)C1)C(O)=NC1=C(C(=O)[C@H]2OC2(C)C)C=CC=C14)C(C)C

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InChI: InChI=1S/C34H50N4O6/c1-18(2)24(35-8)28(40)43-21-13-19(3)38-17-32(36-9)16-33(31(6,7)34(32,42)15-20(38)14-21)23-12-10-11-22(25(23)37-29(33)41)26(39)27-30(4,5)44-27/h10-12,18-21,24,27,35-36,42H,13-17H2,1-9H3,(H,37,41)/t19-,20+,21+,24-,27+,32+,33-,34-/m0/s1

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InChIKey: QADGRUZLZSCZEY-HJQJXPTNSA-N

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Properties Information

Molecule Weight: 610.7960000000002

TPSA: 136.02

MolLogP: 3.417700000000002

Number of H-Donors: 4

Number of H-Acceptors: 9

RingCount: 6

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information