Subdaphnidine A
AlkaPlorer ID: AK068721
Synonym: ''
IUPAC Name: methyl (1R,2R,3R,5R,6S,10S,16R,17R)-2-(acetyloxymethyl)-6-methyl-20-oxo-8-azahexacyclo[11.5.1.11,5.02,10.03,8.016,19]icos-13(19)-ene-17-carboxylate
Structure
SMILES: COC(=O)[C@@H]1C[C@@]23C(=O)[C@@H]4C[C@H]5N(C[C@@H](CCC6=C2[C@@H]1CC6)[C@]53COC(C)=O)C[C@H]4C
InChI: InChI=1S/C25H33NO5/c1-13-10-26-11-16-6-4-15-5-7-17-19(23(29)30-3)9-24(21(15)17)22(28)18(13)8-20(26)25(16,24)12-31-14(2)27/h13,16-20H,4-12H2,1-3H3/t13-,16-,17-,18-,19-,20-,24+,25-/m1/s1
InChIKey: AKKGRTXQCJCVRL-LELLFQNPSA-N
Reference
Alkaloids from the Leaves of <i>Daphniphyllum subverticillatum</i>
PubChem CID: 25212621
LOTUS: LTS0173254
SuperNatural Ⅲ: SN0007950-01
NPASS: NPC305100
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Przewalskia tangutica | Przewalskia | Solanaceae | Solanales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Erythrina variegata | Erythrina | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Holarrhena pubescens | Holarrhena | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 427.5410000000003
TPSA？: 72.91
MolLogP？: 2.7547000000000006
Number of H-Donors: 0
Number of H-Acceptors: 6
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | A549 | Activity | None | None | 10.1021/np9003799 |
| Homo sapiens | Bel-7402 | Activity | None | None | 10.1021/np9003799 |
| Homo sapiens | HL-60 | Activity | None | None | 10.1021/np9003799 |
| Homo sapiens | HMEC | Activity | None | None | 10.1021/np9003799 |
| Mus musculus | P388 | Activity | None | None | 10.1021/np9003799 |