Obaberine; O12-De-Me, N2'-de-Me
AlkaPlorer ID: AK308303
Synonym: 2'-Noroxyacanthine
IUPAC Name: 20,21,25-trimethoxy-30-methyl-8,23-dioxa-15,30-diazaheptacyclo[22.6.2.29,12.13,7.114,18.027,31.022,33]hexatriaconta-3(36),4,6,9(35),10,12(34),18,20,22(33),24,26,31-dodecaen-6-ol
Structure
SMILES: COC1=CC2=C3C=C1OC1=C(OC)C(OC)=CC4=C1C(CC1=CC=C(C=C1)OC1=CC(=CC=C1O)CC3N(C)CC2)NCC4
InChI: InChI=1S/C36H38N2O6/c1-38-14-12-23-18-31(40-2)32-20-26(23)28(38)16-22-7-10-29(39)30(17-22)43-25-8-5-21(6-9-25)15-27-34-24(11-13-37-27)19-33(41-3)35(42-4)36(34)44-32/h5-10,17-20,27-28,37,39H,11-16H2,1-4H3
InChIKey: FLCMAUUZBGVBJQ-UHFFFAOYSA-N
Reference
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Thalictrum cultratum | Thalictrum | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 594.708
TPSA？: 81.65
MolLogP？: 6.517200000000008
Number of H-Donors: 2
Number of H-Acceptors: 8
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|