UB_AYI_005.1
AlkaPlorer ID: AK010144
Synonym: 'ConMedNP.1134'
IUPAC Name: (1S,22R,23R,24S)-4-methyl-9-oxa-4,13-diazahexacyclo[11.6.5.01,24.06,22.010,23.014,19]tetracosa-6,10,14,16,18-pentaene-12,20-dione
Structure
SMILES: CN1CC[C@]23C(=O)C[C@H]4C(=CCOC5=CC(=O)N(C6=CC=CC=C62)[C@H]3[C@H]54)C1
InChI: InChI=1S/C22H22N2O3/c1-23-8-7-22-15-4-2-3-5-16(15)24-19(26)11-17-20(21(22)24)14(10-18(22)25)13(12-23)6-9-27-17/h2-6,11,14,20-21H,7-10,12H2,1H3/t14-,20-,21-,22+/m0/s1
InChIKey: PKPARRIYUZPZFV-LBPSXOOBSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Strychnos icaja | Strychnos | Loganiaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 362.4290000000001
TPSA？: 49.85
MolLogP？: 2.0344
Number of H-Donors: 0
Number of H-Acceptors: 4
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|