12-Hydroxy-11-methoxydiaboline
AlkaPlorer ID: AK008556
Synonym: ''
IUPAC Name: 1-[(4R,12S,13R,14R,19R,21S)-9,14-dihydroxy-8-methoxy-15-oxa-1,11-diazahexacyclo[16.3.1.04,12.04,21.05,10.013,19]docosa-5(10),6,8,17-tetraen-11-yl]ethanone
Structure
SMILES: COC1=CC=C2C(=C1O)N(C(C)=O)[C@H]1[C@@H]3[C@H](O)OCC=C4CN5CC[C@]21[C@@H]5C[C@@H]43
InChI: InChI=1S/C22H26N2O5/c1-11(25)24-18-14(3-4-15(28-2)19(18)26)22-6-7-23-10-12-5-8-29-21(27)17(20(22)24)13(12)9-16(22)23/h3-5,13,16-17,20-21,26-27H,6-10H2,1-2H3/t13-,16-,17+,20-,21+,22+/m0/s1
InChIKey: BCKDRLNZTWKJHT-NGTBTOOYSA-N
Reference
Alkaloids from root bark of Strychnos panganensis
PubChem CID: 15559691
LOTUS: LTS0211310
SuperNatural Ⅲ: SN0021767-05
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Strychnos pungens | Strychnos | Loganiaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 398.4590000000002
TPSA？: 82.47
MolLogP？: 1.3727
Number of H-Donors: 2
Number of H-Acceptors: 6
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|