Sarcodictyin B
AlkaPlorer ID: AK024447
Synonym: None
IUPAC Name: ethyl (1R,2E,4S,5R,9R,11S,12S)-1-hydroxy-8,12-dimethyl-11-[(E)-3-(1-methylimidazol-4-yl)prop-2-enoyl]oxy-5-propan-2-yl-15-oxatricyclo[10.2.1.04,9]pentadeca-2,7,13-triene-2-carboxylate
Structure
SMILES: CCOC(=O)/C1=C/[C@@H]2[C@@H](C(C)C)CC=C(C)[C@@H]2C[C@H](OC(=O)/C=C/C2=CN(C)C=N2)[C@]2(C)C=C[C@@]1(O)O2
InChI: InChI=1S/C29H38N2O6/c1-7-35-27(33)24-14-23-21(18(2)3)10-8-19(4)22(23)15-25(28(5)12-13-29(24,34)37-28)36-26(32)11-9-20-16-31(6)17-30-20/h8-9,11-14,16-18,21-23,25,34H,7,10,15H2,1-6H3/b11-9+,24-14-/t21-,22+,23-,25+,28+,29-/m1/s1
InChIKey: XFSBPGXNEHXNEG-RZQXXOGCSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 510.6310000000002
TPSA？: 99.88
MolLogP？: 4.126600000000004
Number of H-Donors: 1
Number of H-Acceptors: 8
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | 1A9 | IC50 | 2.0 | nM | 10.1021/jm050524f |
| Homo sapiens | HeLa | IC50 | 0.09 | ug.mL-1 | 10.1021/np0205452 |
| Homo sapiens | Tubulin beta-2 chain | TP | 71.0 | % | 10.1021/jm050524f |