(1'R,2'R,3S,7'R,9'R)-6'-acetyl-2'-hydroxy-6-methoxy-1-methyl-4'-oxa-12'-azaspiro[indole-3,10'-tricyclo[7.2.1.0²,⁷]dodecan]-5'-en-2-one
AlkaPlorer ID: AK007047
Synonym: None
IUPAC Name: (1R,2R,7R,9R,10S)-6-acetyl-2-hydroxy-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@@]12O
InChI: InChI=1S/C21H24N2O5/c1-11(24)13-9-28-10-21(26)15(13)7-17-20(8-18(21)22-17)14-5-4-12(27-3)6-16(14)23(2)19(20)25/h4-6,9,15,17-18,22,26H,7-8,10H2,1-3H3/t15-,17-,18-,20+,21-/m1/s1
InChIKey: ATORCSRBUZODQC-VDIUNOJQSA-N
Reference
Isolation and Structural Studies on the Alkaloids of Alstonia macrophylla
PubChem CID: 162934193
LOTUS: LTS0002241
SuperNatural Ⅲ: SN0015059-03
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Alstonia macrophylla | Alstonia | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 384.4320000000002
TPSA？: 88.10000000000001
MolLogP？: 0.8939999999999997
Number of H-Donors: 2
Number of H-Acceptors: 6
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|