Dapholdhamine B
AlkaPlorer ID: AK322531
Synonym: None
IUPAC Name: 3-[(1S,2R,3S,7R,8R,10R,13R,14R)-3-hydroxy-1-methyl-14-propan-2-yl-12-azapentacyclo[8.6.0.02,13.03,8.07,12]hexadecan-2-yl]propanoic acid
Structure
SMILES: CC(C)[C@H]1CC[C@@]2(C)[C@H]3C[C@@H]4[C@H]5CCC[C@@]4(O)[C@@]2(CCC(=O)O)[C@@H]1N5C3
InChI: InChI=1S/C22H35NO3/c1-13(2)15-6-9-20(3)14-11-16-17-5-4-8-22(16,26)21(20,10-7-18(24)25)19(15)23(17)12-14/h13-17,19,26H,4-12H2,1-3H3,(H,24,25)/t14-,15+,16+,17+,19+,20-,21-,22-/m0/s1
InChIKey: XJVXLZXIMBRIAJ-XEPYTYEKSA-N
Reference
Dapholdhamines A−D, Alkaloids from <i>Daphniphyllum oldhami</i>
PubChem CID: 45269103
LOTUS: LTS0057928
NPASS: NPC476284
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Daphniphyllum | Daphniphyllaceae | Saxifragales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| None | Daphniphyllum | Daphniphyllaceae | Saxifragales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 361.5260000000001
TPSA？: 60.77
MolLogP？: 3.527400000000002
Number of H-Donors: 2
Number of H-Acceptors: 3
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | HCT-116 | Activity | None | None | 10.1021/np900112d |
| Homo sapiens | HL-60 | Activity | None | None | 10.1021/np900112d |
| Homo sapiens | HT-29 | Activity | None | None | 10.1021/np900112d |
| Homo sapiens | K562 | Activity | None | None | 10.1021/np900112d |
| Homo sapiens | KB | Activity | None | None | 10.1021/np900112d |
| Homo sapiens | SW480 | Activity | None | None | 10.1021/np900112d |