daphnezomine L methyl ester
AlkaPlorer ID: AK079845
Synonym: None
IUPAC Name: methyl 3-[(1S,2S,7R,10S,13R,14R)-1-methyl-14-propan-2-yl-12-azatetracyclo[8.6.0.02,13.03,7]hexadeca-3,11-dien-2-yl]propanoate
Structure
SMILES: COC(=O)CC[C@]12C3=CCC[C@@H]3CC[C@@H]3C=N[C@@H]1[C@@H](C(C)C)CC[C@@]32C
InChI: InChI=1S/C23H35NO2/c1-15(2)18-10-12-22(3)17-9-8-16-6-5-7-19(16)23(22,21(18)24-14-17)13-11-20(25)26-4/h7,14-18,21H,5-6,8-13H2,1-4H3/t16-,17-,18-,21-,22+,23+/m1/s1
InChIKey: CPDMKDOXBXJZGN-QNWULWIJSA-N
Reference
Alkaloids from the Leaves of <i>Daphniphyllum subverticillatum</i>
PubChem CID: 46882263
LOTUS: LTS0102094
SuperNatural Ⅲ: SN0051854-02
NPASS: NPC115687
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: 357.5380000000002
TPSA？: 38.66
MolLogP？: 5.1977000000000055
Number of H-Donors: 0
Number of H-Acceptors: 3
RingCount: 4
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 |