Medelline
AlkaPlorer ID: AK305398
Synonym: None
IUPAC Name: 16,27-dimethoxy-7,22-dimethyl-29,31,33-trioxa-7,22-diazaoctacyclo[19.11.3.14,32.110,14.115,19.03,8.025,35.028,34]octatriaconta-1(32),2,4(36),10(38),11,13,15,17,19(37),25,27,34-dodecaen-13-ol
Structure
SMILES: COC1=CC=C2C=C1C1=C(O)C=CC(=C1)CC1C3=C(C=C4OCOC5=C(OC)C=C6CCN(C)C(C2)C6=C5OC4=C3)CCN1C
InChI: InChI=1S/C37H38N2O6/c1-38-11-9-23-17-32-33-19-25(23)28(38)15-21-5-7-30(40)26(13-21)27-14-22(6-8-31(27)41-3)16-29-35-24(10-12-39(29)2)18-34(42-4)36(37(35)45-33)44-20-43-32/h5-8,13-14,17-19,28-29,40H,9-12,15-16,20H2,1-4H3
InChIKey: OUVZTALNXQHCLW-UHFFFAOYSA-N
Reference
Medelline, First Bisbenzylisoquinoline Alkaloid with a Methylenedioxy Bridge
PubChem CID: 85137009
LOTUS: LTS0252200
COCONUT: CNP0270160.2
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Pseudoxandra | Annonaceae | Magnoliales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 606.7190000000002
TPSA？: 72.86
MolLogP？: 6.454200000000007
Number of H-Donors: 1
Number of H-Acceptors: 8
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|