Roxburghine B
AlkaPlorer ID: AK046489
Synonym: 'Roxburghine B'
IUPAC Name: methyl (1S,2R,17S,19R)-2-methyl-4,14,21,31-tetrazaoctacyclo[15.15.0.02,14.03,11.05,10.019,31.020,28.022,27]dotriaconta-3(11),5,7,9,15,20(28),22,24,26-nonaene-16-carboxylate
Structure
SMILES: COC(=O)C1=CN2CCC3=C(NC4=CC=CC=C34)[C@@]2(C)[C@@H]2CN3CCC4=C(NC5=CC=CC=C45)[C@H]3C[C@H]12
InChI: InChI=1S/C31H32N4O2/c1-31-24-17-34-13-11-20-18-7-3-5-9-25(18)32-28(20)27(34)15-22(24)23(30(36)37-2)16-35(31)14-12-21-19-8-4-6-10-26(19)33-29(21)31/h3-10,16,22,24,27,32-33H,11-15,17H2,1-2H3/t22-,24-,27-,31-/m1/s1
InChIKey: SHKMVIVFLHPOSB-TVRWTGHXSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Uncaria gambir | Uncaria | Rubiaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 492.62300000000033
TPSA？: 64.36
MolLogP？: 5.028500000000005
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|