(+)-Methylcocsoline
AlkaPlorer ID: AK046305
Synonym: 'O-Methylcocsoline', 'Trigilletine', 'SMR000528718', '(+)-O-Methylcocsoline', 'MLS000756410'
IUPAC Name: (8S,21R)-13,27-dimethoxy-22-methyl-15,29,31-trioxa-7,22-diazaoctacyclo[19.9.3.216,19.14,30.110,14.03,8.025,33.028,32]heptatriaconta-1(30),2,4(34),10(37),11,13,16,18,25,27,32,35-dodecaene
Structure
SMILES: COC1=CC=C2C=C1OC1=CC=C(C=C1)C[C@@H]1C3=C4OC5=C(C=C6CCN[C@@H](C2)C6=C5)OC4=C(OC)C=C3CCN1C
InChI: InChI=1S/C35H34N2O5/c1-37-13-11-23-18-32(39-3)34-35-33(23)27(37)15-20-4-7-24(8-5-20)40-29-16-21(6-9-28(29)38-2)14-26-25-19-31(42-35)30(41-34)17-22(25)10-12-36-26/h4-9,16-19,26-27,36H,10-15H2,1-3H3/t26-,27+/m0/s1
InChIKey: DJAWTLHBPPQMPV-RRPNLBNLSA-N
Reference
Antiplasmodial activity and cytotoxicity of Albertisia delagoensis
PubChem CID: 3246541
LOTUS: LTS0224794
SuperNatural Ⅲ: SN0067048-02
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Albertisia delagoensis | Albertisia | Menispermaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 562.6660000000002
TPSA？: 61.42000000000001
MolLogP？: 6.908700000000006
Number of H-Donors: 1
Number of H-Acceptors: 7
RingCount: 9
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Bacillus anthracis | Anthrax lethal factor | Potency | 3162.3 | nM | None |
| Homo sapiens | Cytochrome P450 1A2 | AC50 | nan | None | None |
| Homo sapiens | Cytochrome P450 2C19 | AC50 | nan | None | None |
| Homo sapiens | Cytochrome P450 2C9 | AC50 | nan | None | None |
| Homo sapiens | Cytochrome P450 2D6 | AC50 | nan | None | None |
| Homo sapiens | Cytochrome P450 3A4 | AC50 | nan | None | None |
| None | Unchecked | Potency | 794.3 | nM | None |