pordamacrine B
AlkaPlorer ID: AK075460
Synonym: None
IUPAC Name: methyl (1R,3R,4R,14S)-19-hydroxy-18-(hydroxymethyl)-14-methyl-12-azahexacyclo[10.6.1.11,4.010,18.015,19.07,20]icosa-7(20),16-diene-3-carboxylate
Structure
SMILES: COC(=O)[C@@H]1C[C@@]23C4=C(CCC5CN6C[C@@H](C)C(C=CC52CO)C63O)CC[C@@H]41
InChI: InChI=1S/C23H31NO4/c1-13-10-24-11-15-5-3-14-4-6-16-17(20(26)28-2)9-22(19(14)16)21(15,12-25)8-7-18(13)23(22,24)27/h7-8,13,15-18,25,27H,3-6,9-12H2,1-2H3/t13-,15?,16-,17-,18?,21?,22-,23?/m1/s1
InChIKey: KJJSHRRLRCGALL-SZVYSJOGSA-N
Reference
Pordamacrines A and B, Alkaloids from Daphniphyllum macropodum
PubChem CID: 44444999
LOTUS: LTS0265287
NPASS: NPC476952
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Daphniphyllum macropodum | Daphniphyllum | Daphniphyllaceae | Saxifragales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 385.5040000000001
TPSA？: 70.0
MolLogP？: 2.1009
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Rattus norvegicus | Thoracic aorta | Activity | 47.1 | % | 10.1021/np070226g |