2-hydroxy-1-[(4S,12S,13R,16S,17S,18R,20R)-20-hydroxy-16-methyl-15-oxa-1,11-diazahexacyclo[15.3.1.0⁴,¹².0⁴,²⁰.0⁵,¹⁰.0¹³,¹⁸]henicosa-5(10),6,8-trien-11-yl]ethanone
AlkaPlorer ID: AK188376
Synonym: None
IUPAC Name: 2-hydroxy-1-[(4S,12S,13R,16R,17S,18R,20R)-20-hydroxy-16-methyl-15-oxa-1,11-diazahexacyclo[15.3.1.04,12.04,20.05,10.013,18]henicosa-5,7,9-trien-11-yl]ethanone
Structure
SMILES: C[C@H]1OC[C@@H]2[C@H]3C[C@]4(O)N(CC[C@@]45C4=CC=CC=C4N(C(=O)CO)[C@@H]25)C[C@H]31
InChI: InChI=1S/C21H26N2O4/c1-12-14-9-22-7-6-20-16-4-2-3-5-17(16)23(18(25)10-24)19(20)15(11-27-12)13(14)8-21(20,22)26/h2-5,12-15,19,24,26H,6-11H2,1H3/t12-,13+,14+,15-,19+,20+,21-/m1/s1
InChIKey: PUJOYKKZYBTUSK-LQOCACJHSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Strychnos henningsii | Strychnos | Loganiaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 370.4490000000001
TPSA？: 73.24000000000001
MolLogP？: 0.7107999999999997
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|