Serpulanine B
AlkaPlorer ID: AK323909
Synonym: None
IUPAC Name: methyl 2-[hydroxy-[(2Z)-2-hydroxyiminopropanoyl]amino]-3-[4-(3-methylbut-2-enoxy)phenyl]propanoate
Structure
SMILES: COC(=O)C(CC1=CC=C(OCC=C(C)C)C=C1)N(O)C(=O)/C(C)=N/O
InChI: InChI=1S/C18H24N2O6/c1-12(2)9-10-26-15-7-5-14(6-8-15)11-16(18(22)25-4)20(24)17(21)13(3)19-23/h5-9,16,23-24H,10-11H2,1-4H3/b19-13+
InChIKey: RCHYEYQIAQKMMP-CPNJWEJPSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Serpula | Serpulidae | Sabellida | Polychaeta | Annelida | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 364.3980000000001
TPSA？: 108.66
MolLogP？: 2.1836
Number of H-Donors: 2
Number of H-Acceptors: 7
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Histone deacetylase 6 | Inhibition | 69.0 | % | 10.1021/acs.jnatprod.7b00680 |
| Homo sapiens | Histone deacetylase 9 | Inhibition | nan | % | 10.1021/acs.jnatprod.7b00680 |