Pordamacrine A, (rel)-
AlkaPlorer ID: AK075456
Synonym: 'Pordamacrine A', '(-)-Pordamacrine A'
IUPAC Name: methyl (1R,3R,4R,14R)-15,19-dihydroxy-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(O)(C=CC52CO)C63O)CC[C@@H]41
InChI: InChI=1S/C23H31NO5/c1-13-10-24-11-15-5-3-14-4-6-16-17(19(26)29-2)9-21(18(14)16)20(15,12-25)7-8-22(13,27)23(21,24)28/h7-8,13,15-17,25,27-28H,3-6,9-12H2,1-2H3/t13-,15?,16-,17-,20?,21-,22?,23?/m1/s1
InChIKey: STEHXMPTKMFKML-DJNPKISFSA-N
Reference
Pordamacrines A and B, Alkaloids from Daphniphyllum macropodum
PubChem CID: 44444998
LOTUS: LTS0015291
NPASS: NPC476951
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Daphniphyllum macropodum | Daphniphyllum | Daphniphyllaceae | Saxifragales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 401.50300000000016
TPSA？: 90.23
MolLogP？: 1.215799999999999
Number of H-Donors: 3
Number of H-Acceptors: 6
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Rattus norvegicus | Thoracic aorta | Activity | 50.0 | % | 10.1021/np070226g |