Caracurine V
AlkaPlorer ID: AK042508
Synonym: None
IUPAC Name: (1R,9R,16S,18R,19R,20S,21R,29R,36S,38R,39R,40S)-10,30-dioxa-8,15,28,35-tetrazatridecacyclo[33.5.2.215,21.01,36.02,7.08,40.09,19.013,18.016,21.020,28.022,27.029,39.033,38]tetratetraconta-2,4,6,12,22,24,26,32-octaene
Structure
SMILES: C1=C2CN3CC[C@]45C6=CC=CC=C6N6[C@@H]7OCC=C8CN9CC[C@]%10%11C%12=CC=CC=C%12N([C@H](OC1)[C@@H]([C@H]64)[C@H]2C[C@H]35)[C@H]%10[C@H]7[C@H]8C[C@H]9%11
InChI: InChI=1S/C38H40N4O2/c1-3-7-27-25(5-1)37-11-13-39-19-21-10-16-44-36-31(23(21)17-29(37)39)33(37)41(27)35-32-24-18-30-38(12-14-40(30)20-22(24)9-15-43-35)26-6-2-4-8-28(26)42(36)34(32)38/h1-10,23-24,29-36H,11-20H2/t23-,24-,29-,30-,31+,32+,33-,34-,35+,36+,37+,38+/m0/s1
InChIKey: CIRUUTNLDXXBKU-HCKBHOMASA-N
Reference
Antimicrobial Effect of the Alkaloids from Strychnos afzelii Gilg.
PubChem CID: 168927
CAS: 630-87-5
LOTUS: LTS0009899
SuperNatural Ⅲ: SN0046794-04
NPASS: NPC320147
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Strychnos afzelii | Strychnos | Loganiaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 584.7640000000004
TPSA？: 31.420000000000005
MolLogP？: 4.266600000000004
Number of H-Donors: 0
Number of H-Acceptors: 6
RingCount: 13
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Muscarinic acetylcholine receptor M2 | EC50 | 436.52 | nM | 10.1016/j.bmcl.2005.12.030 |
| Sus scrofa | Muscarinic acetylcholine receptor M2 | EC0.25 | 95.8 | None | 10.1021/jm0311341 |
| Sus scrofa | Muscarinic acetylcholine receptor M2 | EC50 | 436.0 | nM | 10.1021/np500259j |
| Sus scrofa | Muscarinic acetylcholine receptor M2 | pEC0.5 | 6.36 | None | 10.1021/jm0311341 |
| Torpedo californica | Acetylcholine receptor | Ki | 100000.0 | nM | 10.1016/j.bmcl.2005.12.030 |
| None | Unchecked | Ki | 100000.0 | nM | 10.1021/np500259j |