Kopsingine
AlkaPlorer ID: AK090660
Synonym: None
IUPAC Name: dimethyl (1S,9R,16R,17R,18R,21R)-17,18-dihydroxy-4-methoxy-2,12-diazahexacyclo[14.2.2.19,12.01,9.03,8.016,21]henicosa-3(8),4,6,14-tetraene-2,18-dicarboxylate
Structure
SMILES: COC(=O)N1C2=C(OC)C=CC=C2[C@@]23CCN4CC=C[C@]5(CC[C@]12[C@](O)(C(=O)OC)[C@@H]5O)[C@H]43
InChI: InChI=1S/C24H28N2O7/c1-31-15-7-4-6-14-16(15)26(20(29)33-3)23-10-9-21(18(27)24(23,30)19(28)32-2)8-5-12-25-13-11-22(14,23)17(21)25/h4-8,17-18,27,30H,9-13H2,1-3H3/t17-,18+,21-,22+,23-,24+/m0/s1
InChIKey: BSCMCQIYAPFDSL-BAQUWZKJSA-N
Reference
Aspidofractinine alkaloids from Kopsia teoi
PubChem CID: 10983334
LOTUS: LTS0101701
SuperNatural Ⅲ: SN0033950-01
NPASS: NPC222046
Source
Properties Information
Molecule Weight: 456.4950000000002
TPSA？: 108.77
MolLogP？: 0.9610999999999998
Number of H-Donors: 2
Number of H-Acceptors: 8
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Rattus norvegicus | Rattus norvegicus | Activity | -101.0 | bpm | 10.1021/np9703712 |
| Rattus norvegicus | Rattus norvegicus | Activity | -71.5 | bpm | 10.1021/np9703712 |
| Rattus norvegicus | Rattus norvegicus | Activity | -68.5 | mmHg | 10.1021/np9703712 |
| Rattus norvegicus | Rattus norvegicus | Activity | -51.0 | mmHg | 10.1021/np9703712 |
| Rattus norvegicus | Rattus norvegicus | Activity | 3.9 | min | 10.1021/np9703712 |
| Rattus norvegicus | Rattus norvegicus | Activity | 30.7 | mmHg | 10.1021/np9703712 |
| Rattus norvegicus | Rattus norvegicus | Activity | 66.7 | bpm | 10.1021/np9703712 |
| Rattus norvegicus | Rattus norvegicus | Activity | nan | None | 10.1021/np9703712 |
| None | Epidermoid carcinoma cell line | IC50 | 25.0 | ug.mL-1 | 10.1016/s0960-894x(98)00486-7 |