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name Structure Reference Source Properties Activities Metabolism

(1'S,2'R,3S,7'R,9'S)-6'-acetyl-6-methoxy-1-methyl-4'-oxa-12'-azaspiro[indole-3,10'-tricyclo[7.2.1.0²,⁷]dodecan]-5'-en-2-one

AlkaPlorer ID: AK004063

Synonym: None

IUPAC Name: (1S,2R,7R,9S,10S)-6-acetyl-6'-methoxy-1'-methylspiro[4-oxa-12-azatricyclo[7.2.1.02,7]dodec-5-ene-10,3'-indole]-2'-one

Structure

SMILES: COC1=CC=C2C(=C1)N(C)C(=O)[C@@]21C[C@@H]2N[C@H]1C[C@H]1C(C(C)=O)=COC[C@@H]21

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InChI: InChI=1S/C21H24N2O4/c1-11(24)14-9-27-10-15-13(14)7-19-21(8-17(15)22-19)16-5-4-12(26-3)6-18(16)23(2)20(21)25/h4-6,9,13,15,17,19,22H,7-8,10H2,1-3H3/t13-,15+,17-,19-,21-/m0/s1

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InChIKey: SIRGNISPBNTBGI-WSPVJSELSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Alstonia macrophylla Alstonia Apocynaceae Gentianales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 368.43300000000016

TPSA？: 67.87

MolLogP？: 1.7791

Number of H-Donors: 1

Number of H-Acceptors: 5

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens KB IC50 100000.0 nM 10.1021/np3006937
Plasmodium falciparum Plasmodium falciparum Activity nan None 10.1021/np3006937

Metabolism Information