144587-55-3
AlkaPlorer ID: AK050644
Synonym: None
IUPAC Name: 2-[[5-[[(1R,2S,4aS,8aS)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]methyl]-3,6-dioxocyclohexa-1,4-dien-1-yl]amino]ethanesulfonic acid
Structure
SMILES: CC1=CCC[C@H]2[C@](C)(CC3=CC(=O)C=C(NCCS(=O)(=O)O)C3=O)[C@@H](C)CC[C@]12C
InChI: InChI=1S/C23H33NO5S/c1-15-6-5-7-20-22(15,3)9-8-16(2)23(20,4)14-17-12-18(25)13-19(21(17)26)24-10-11-30(27,28)29/h6,12-13,16,20,24H,5,7-11,14H2,1-4H3,(H,27,28,29)/t16-,20+,22+,23+/m0/s1
InChIKey: PZOXNEXWCRTPSE-DQOBCGMHSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Dysidea avara | Dysidea | Dysideidae | Dictyoceratida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 435.5860000000002
TPSA？: 100.54
MolLogP？: 3.6148000000000025
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|