Smenospongine; N-(Carboxymethyl)
AlkaPlorer ID: AK313666
Synonym: Glycinylilimaquinone, Smenospongine B
IUPAC Name: 2-[[5-[(1,2,4a-trimethyl-5-methylidene-3,4,6,7,8,8a-hexahydro-2H-naphthalen-1-yl)methyl]-6-hydroxy-3,4-dioxocyclohexa-1,5-dien-1-yl]amino]acetic acid
Structure
SMILES: C=C1CCCC2C1(C)CCC(C)C2(C)CC1=C(O)C(=O)C=C(NCC(=O)O)C1=O
InChI: InChI=1S/C23H31NO5/c1-13-6-5-7-18-22(13,3)9-8-14(2)23(18,4)11-15-20(28)16(24-12-19(26)27)10-17(25)21(15)29/h10,14,18,24,29H,1,5-9,11-12H2,2-4H3,(H,26,27)
InChIKey: NNDNTSLKXNJKMJ-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Dactylospongia elegans | Dactylospongia | Thorectidae | Dictyoceratida | Demospongiae | Porifera | Metazoa | Eukaryota |
| None | Fasciospongia | Thorectidae | Dictyoceratida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 401.50300000000016
TPSA？: 103.70000000000002
MolLogP？: 3.697300000000001
Number of H-Donors: 3
Number of H-Acceptors: 5
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|