Citrinadin D

AlkaPlorer ID: AK073719

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)-2-amino-3-methylbutanoate

Structure

SMILES: CN[C@]12CN3[C@H](C[C@H](OC(=O)[C@@H](N)C(C)C)C[C@@H]3C)C[C@]1(O)C(C)(C)[C@]1(C2)C(O)=NC2=C(C(=O)[C@H]3OC3(C)C)C=CC=C21

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InChI: InChI=1S/C33H48N4O6/c1-17(2)23(34)27(39)42-20-12-18(3)37-16-31(35-8)15-32(30(6,7)33(31,41)14-19(37)13-20)22-11-9-10-21(24(22)36-28(32)40)25(38)26-29(4,5)43-26/h9-11,17-20,23,26,35,41H,12-16,34H2,1-8H3,(H,36,40)/t18-,19+,20+,23-,26+,31+,32-,33-/m0/s1

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InChIKey: JBDQCKJFWOEAKF-HYFDBWGLSA-N

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Properties Information

Molecule Weight: 596.7690000000002

TPSA: 150.01000000000002

MolLogP: 3.1570000000000027

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