SA149_20.1
AlkaPlorer ID: AK008322
Synonym: "O12'-Demethyltelobine", 'Apateline', 'Cocsoline', '(+)-Cocsoline', "2'-Demethylcocsuline", '(+)-Apateline'
IUPAC Name: (8R,21S)-27-methoxy-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-dodecaen-13-ol
Structure
SMILES: COC1=CC2=C3C4=C1OC1=C(C=C5C(=C1)CCN[C@@H]5CC1=CC=C(O)C(=C1)OC1=CC=C(C=C1)C[C@@H]3N(C)CC2)O4
InChI: InChI=1S/C34H32N2O5/c1-36-12-10-22-17-31(38-2)33-34-32(22)26(36)14-19-3-6-23(7-4-19)39-28-15-20(5-8-27(28)37)13-25-24-18-30(41-34)29(40-33)16-21(24)9-11-35-25/h3-8,15-18,25-26,35,37H,9-14H2,1-2H3/t25-,26+/m1/s1
InChIKey: AFGMWONXXNDGGE-FTJBHMTQSA-N
Reference
Bisbenzylisoquinoline alkaloids from<i>Cocculus pendulus</i>
PubChem CID: 15560531
LOTUS: LTS0024911
SuperNatural Ⅲ: SN0004099-02
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Pachygone loyaltiensis | Pachygone | Menispermaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 548.6390000000002
TPSA？: 72.42
MolLogP？: 6.605700000000008
Number of H-Donors: 2
Number of H-Acceptors: 7
RingCount: 9
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|