Melemeleone A; N-Me
AlkaPlorer ID: AK305439
Synonym: N-Methylmelemeleone A
IUPAC Name: 2-[[5-[(1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl)methyl]-3,6-dioxocyclohexa-1,4-dien-1-yl]-methylamino]ethanesulfonic acid
Structure
SMILES: CC1=CCCC2C1(C)CCC(C)C2(C)CC1=CC(=O)C=C(N(C)CCS(=O)(=O)O)C1=O
InChI: InChI=1S/C24H35NO5S/c1-16-7-6-8-21-23(16,3)10-9-17(2)24(21,4)15-18-13-19(26)14-20(22(18)27)25(5)11-12-31(28,29)30/h7,13-14,17,21H,6,8-12,15H2,1-5H3,(H,28,29,30)
InChIKey: IIBMCVXJGCEMEG-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Dysidea avara | Dysidea | Dysideidae | Dictyoceratida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 449.6130000000002
TPSA？: 91.75
MolLogP？: 3.9570000000000025
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|