(1'S,2'R,3R,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: AK004065
Synonym: None
IUPAC Name: (1S,2R,7R,9S,10R)-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
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
InChIKey: SIRGNISPBNTBGI-ZVZUXSAKSA-N
Reference
Nb-demethylalstophylline oxindole an oxindole alkaloid from the leaves of Alstonia macrophylla
PubChem CID: 162887906
LOTUS: LTS0112877
SuperNatural Ⅲ: SN0346523-04
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 |
|---|