Molecule

Dysidine

AlkaPlorer ID: AK042089

Synonym: None

IUPAC Name: 2-[[5-[[(1R,2R,4aS,8aS)-1,2,4a,5-tetramethyl-1,3,4,7,8,8a-hexahydronaphthalen-2-yl]methyl]-6-hydroxy-3,4-dioxocyclohexa-1,5-dien-1-yl]amino]ethanesulfonic acid

Structure

SMILES: CC1=CCC[C@H]2[C@@H](C)[C@@](C)(CC3=C(O)C(=O)C=C(NCCS(=O)(=O)O)C3=O)CC[C@]12C

InChI: InChI=1S/C23H33NO6S/c1-14-6-5-7-17-15(2)22(3,8-9-23(14,17)4)13-16-20(26)18(12-19(25)21(16)27)24-10-11-31(28,29)30/h6,12,15,17,24,27H,5,7-11,13H2,1-4H3,(H,28,29,30)/t15-,17+,22-,23-/m1/s1

InChIKey: HHKUTKBQEPDLMV-CIVZFWGOSA-N

Reference

SuperNatural Ⅲ: SN0125690-01

NPASS: NPC176336

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
None	Dysidea	Dysideidae	Dictyoceratida	Demospongiae	Porifera	Metazoa	Eukaryota

Properties Information

Molecule Weight: 451.58500000000026

TPSA？: 120.77

MolLogP？: 3.500500000000001

Number of H-Donors: 3

Number of H-Acceptors: 6

RingCount: 3

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Apis mellifera	Phospholipase A2 (Bee)	Inhibition	33.4	%	10.1021/np000637w
Cricetulus griseus	CHO-K1	Activity	nan	None	10.1016/j.bmcl.2008.11.068
Homo sapiens	Phospholipase A2 group IIA	IC50	2000.0	nM	10.1021/np000637w
Homo sapiens	Phospholipase A2 group IIA	Inhibition	73.8	%	10.1021/np000637w
Homo sapiens	Protein-tyrosine phosphatase 1B	IC50	6700.0	nM	10.1016/j.bmcl.2008.11.068
Human immunodeficiency virus 1	Human immunodeficiency virus 1	Activity	nan	None	10.1016/j.bmcl.2008.11.068
Mus musculus	3T3-L1	Activity	2.3	None	10.1016/j.bmcl.2008.11.068
Mus musculus	3T3-L1	Activity	nan	None	10.1016/j.bmcl.2008.11.068
Mus musculus	Cytosolic phospholipase A2	Inhibition	nan	%	10.1021/np000637w
Naja naja	Phospholipase A2, acidic	Inhibition	0.7	%	10.1021/np000637w
Sus scrofa	Phospholipase A2 group 1B	Inhibition	1.2	%	10.1021/np000637w
None	ADMET	Activity	nan	None	10.1021/np000637w
None	ADMET	Inhibition	0.3	%	10.1021/np000637w
None	Neutrophil	IC50	1300.0	nM	10.1021/np000637w
None	Neutrophil	IC50	nan	None	10.1021/np000637w
None	Neutrophil	Inhibition	44.4	%	10.1021/np000637w
None	Neutrophil	Inhibition	90.7	%	10.1021/np000637w