UB_AYI_001.1
AlkaPlorer ID: AK010058
Synonym: 'ConMedNP.1229'
IUPAC Name: (1S,22S,23S,24S)-15,22-dihydroxy-4-methyl-9-oxa-4,13-diazahexacyclo[11.6.5.01,24.06,22.010,23.014,19]tetracosa-6,10,14(19),15,17-pentaene-12,20-dione
Structure
SMILES: CN1CC[C@]23C(=O)C[C@@]4(O)C(=CCOC5=CC(=O)N(C6=C(O)C=CC=C62)[C@H]3[C@H]54)C1
InChI: InChI=1S/C22H22N2O5/c1-23-7-6-21-13-3-2-4-14(25)19(13)24-17(27)9-15-18(20(21)24)22(28,10-16(21)26)12(11-23)5-8-29-15/h2-5,9,18,20,25,28H,6-8,10-11H2,1H3/t18-,20-,21+,22+/m0/s1
InChIKey: NDIBCEQFECLLFG-VXSCBNMQSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Strychnos icaja | Strychnos | Loganiaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 394.4270000000001
TPSA？: 90.31
MolLogP？: 0.8549000000000001
Number of H-Donors: 2
Number of H-Acceptors: 6
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|