Sarcodictyin A
AlkaPlorer ID: AK018750
Synonym: None
IUPAC Name: methyl (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: COC(=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/C28H36N2O6/c1-17(2)20-9-7-18(3)21-14-24(35-25(31)10-8-19-15-30(5)16-29-19)27(4)11-12-28(33,36-27)23(13-22(20)21)26(32)34-6/h7-8,10-13,15-17,20-22,24,33H,9,14H2,1-6H3/b10-8+,23-13-/t20-,21+,22-,24+,27+,28-/m1/s1
InChIKey: VHZOZCRALQEBDG-BEMXCNERSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Erythropodium caribaeorum | Erythropodium | Alcyoniidae | Malacalcyonacea | Anthozoa | Cnidaria | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 496.6040000000002
TPSA？: 99.88
MolLogP？: 3.736500000000004
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 | 340.0 | nM | 10.1021/jm050524f |
| Homo sapiens | HeLa | IC50 | 0.017 | ug.mL-1 | 10.1021/np0205452 |
| Homo sapiens | Tubulin beta-2 chain | TP | 67.0 | % | 10.1021/jm050524f |