Deoxycitrinadin B

AlkaPlorer ID: AK073711

Synonym: None

IUPAC Name: (3S,3'aS,6'S,9'aR,10'aR)-7-[(2S)-3,3-dimethyloxirane-2-carbonyl]-1',1',6'-trimethyl-3'a-(methylamino)spiro[1H-indole-3,2'-4,6,7,8,9,9a,10,10a-octahydro-3H-cyclopenta[b]quinolizine]-2-one

Structure

SMILES: CN[C@]12CN3[C@H](CCC[C@@H]3C)C[C@@H]1C(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/C28H39N3O3/c1-16-9-7-10-17-13-20-25(2,3)28(14-27(20,29-6)15-31(16)17)19-12-8-11-18(21(19)30-24(28)33)22(32)23-26(4,5)34-23/h8,11-12,16-17,20,23,29H,7,9-10,13-15H2,1-6H3,(H,30,33)/t16-,17+,20+,23+,27+,28-/m0/s1

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InChIKey: JOCIDHKWKYUOII-ILSSLKRCSA-N

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Properties Information

Molecule Weight: 465.6380000000002

TPSA: 77.46000000000001

MolLogP: 4.537100000000003

Number of H-Donors: 2

Number of H-Acceptors: 5

RingCount: 6

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information