None
AlkaPlorer ID: AK323410
Synonym: None
IUPAC Name: [(1R,2R,3S,4S,5S,7R,9R,10R,11R,13S)-10-acetamido-2,7-dihydroxy-1,5,9,12,12-pentamethyl-8-oxo-4-tetracyclo[7.6.0.03,7.011,13]pentadecanyl] (E)-3-phenylprop-2-enoate
Structure
SMILES: CC(O)=N[C@@H]1[C@@H]2[C@H](CC[C@@]3(C)[C@H](O)[C@H]4[C@@H](OC(=O)/C=C/C5=CC=CC=C5)[C@@H](C)C[C@]4(O)C(=O)[C@@]13C)C2(C)C
InChI: InChI=1S/C31H41NO6/c1-17-16-31(37)23(24(17)38-21(34)13-12-19-10-8-7-9-11-19)26(35)29(5)15-14-20-22(28(20,3)4)25(32-18(2)33)30(29,6)27(31)36/h7-13,17,20,22-26,35,37H,14-16H2,1-6H3,(H,32,33)/b13-12+/t17-,20-,22-,23+,24-,25+,26+,29-,30+,31+/m0/s1
InChIKey: BRKUJKHPZWCWLV-DBPWDROJSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Euphorbia soongarica | Euphorbia | Euphorbiaceae | Malpighiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 523.6700000000003
TPSA？: 116.42000000000002
MolLogP？: 4.365900000000004
Number of H-Donors: 3
Number of H-Acceptors: 6
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | KB | IC50 | 30000.0 | nM | 10.1021/acs.jnatprod.6b01099 |
| None | Unchecked | IC50 | 30000.0 | nM | 10.1021/acs.jnatprod.6b01099 |
| None | Unchecked | Ratio | 1.51 | None | 10.1021/acs.jnatprod.6b01099 |