Ophiocarpine
AlkaPlorer ID: AK055650
Synonym: '(-)-Ophiocarpine'
IUPAC Name: (1R,21R)-16,17-dimethoxy-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-2,4(8),9,15(20),16,18-hexaen-21-ol
Structure
SMILES: COC1=CC=C2C(=C1OC)CN1CCC3=CC4=C(C=C3[C@@H]1[C@@H]2O)OCO4
InChI: InChI=1S/C20H21NO5/c1-23-15-4-3-12-14(20(15)24-2)9-21-6-5-11-7-16-17(26-10-25-16)8-13(11)18(21)19(12)22/h3-4,7-8,18-19,22H,5-6,9-10H2,1-2H3/t18-,19-/m1/s1
InChIKey: FLSSXYPKPLFNLK-RTBURBONSA-N
Reference
Alkaloids of<i>Corydalis cheilanthifolia</i>
PubChem CID: 12313750
LOTUS: LTS0181475
SuperNatural Ⅲ: SN0089095-02
NPASS: NPC2314
Source
Properties Information
Molecule Weight: 355.39000000000004
TPSA?: 60.390000000000015
MolLogP?: 2.578900000000001
Number of H-Donors: 1
Number of H-Acceptors: 6
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Escherichia coli K-12 | Beta-lactamase AmpC | Potency | 100000.0 | nM | None |
| Homo sapiens | DNA-(apurinic or apyrimidinic site) lyase | Potency | 7943.3 | nM | None |
| Homo sapiens | Prelamin-A/C | Potency | 3548.1 | nM | None |
| Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 | Potency | 16360.1 | nM | None |
| Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 | Potency | 29092.9 | nM | None |
| Homo sapiens | Ubiquitin carboxyl-terminal hydrolase 1 | Potency | 39810.7 | nM | None |
| Photinus pyralis | Luciferin 4-monooxygenase | Potency | 19011.5 | nM | None |
| Plasmodium falciparum | Plasmodium falciparum | Potency | 9285.0 | nM | None |
| Plasmodium falciparum | Plasmodium falciparum | Potency | 18526.0 | nM | None |
| None | Unchecked | Potency | 1258.9 | nM | None |
