16-hydroxyalstonisine
AlkaPlorer ID: AK046500
Synonym: None
IUPAC Name: (1S,2S,7S,9S,10S)-6-acetyl-2-hydroxy-1'-methylspiro[4-oxa-12-azatricyclo[7.2.1.02,7]dodec-5-ene-10,3'-indole]-2'-one
Structure
SMILES: CC(=O)C1=COC[C@@]2(O)[C@@H]3C[C@@]4(C(=O)N(C)C5=CC=CC=C54)[C@H](C[C@@H]12)N3
InChI: InChI=1S/C20H22N2O4/c1-11(23)12-9-26-10-20(25)14(12)7-16-19(8-17(20)21-16)13-5-3-4-6-15(13)22(2)18(19)24/h3-6,9,14,16-17,21,25H,7-8,10H2,1-2H3/t14-,16-,17-,19-,20-/m0/s1
InChIKey: HXDMVLNKWWFVGR-CBOSDZJASA-N
Reference
New Indole Alkaloids from <i>Alstonia macrophylla</i>
PubChem CID: 21577248
LOTUS: LTS0100574
SuperNatural Ⅲ: SN0137914-02
NPASS: NPC90025
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Alstonia macrophylla | Alstonia | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 354.406
TPSA？: 78.87
MolLogP？: 0.8853999999999993
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|