2,18-dimethyl (1S,9R,16R,21S)-4-hydroxy-2,12-diazahexacyclo[14.2.2.1⁹,¹².0¹,⁹.0³,⁸.0¹⁶,²¹]henicosa-3(8),4,6,17-tetraene-2,18-dicarboxylate
AlkaPlorer ID: AK244792
Synonym: None
IUPAC Name: dimethyl (1S,9R,16R,21S)-4-hydroxy-2,12-diazahexacyclo[14.2.2.19,12.01,9.03,8.016,21]henicosa-3(8),4,6,17-tetraene-2,18-dicarboxylate
Structure
SMILES: COC(=O)C1=C[C@@]23CCCN4CC[C@@]5(C6=CC=CC(O)=C6N(C(=O)OC)[C@]15CC2)[C@@H]43
InChI: InChI=1S/C23H26N2O5/c1-29-18(27)15-13-21-7-4-11-24-12-10-22(19(21)24)14-5-3-6-16(26)17(14)25(20(28)30-2)23(15,22)9-8-21/h3,5-6,13,19,26H,4,7-12H2,1-2H3/t19-,21+,22+,23+/m0/s1
InChIKey: RJXCMWHLYXRMGR-MLDBQTBOSA-N
Reference
Dehydropleiocarpine alkaloids from Kopsia profunda
PubChem CID: 162993784
LOTUS: LTS0211036
SuperNatural Ⅲ: SN0327422-01
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Kopsia profunda | Kopsia | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 410.4700000000002
TPSA？: 79.31
MolLogP？: 2.716500000000001
Number of H-Donors: 1
Number of H-Acceptors: 6
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|