Siphonodictyoic acid; Enantiomer, 18-deoxy, 18-formamido, 19-hydroxy, Me ester
AlkaPlorer ID: AK313631
Synonym: None
IUPAC Name: methyl 5-[(1,2,4a-trimethyl-5-methylidene-3,4,6,7,8,8a-hexahydro-2H-naphthalen-1-yl)methyl]-3-formamido-2,4-dihydroxybenzoate
Structure
SMILES: C=C1CCCC2C1(C)CCC(C)C2(C)CC1=C(O)C(NC=O)=C(O)C(C(=O)OC)=C1
InChI: InChI=1S/C24H33NO5/c1-14-7-6-8-18-23(14,3)10-9-15(2)24(18,4)12-16-11-17(22(29)30-5)21(28)19(20(16)27)25-13-26/h11,13,15,18,27-28H,1,6-10,12H2,2-5H3,(H,25,26)
InChIKey: KPLQQIBAHHFOHE-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Spongia pertusa | Spongia | Spongiidae | Dictyoceratida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 415.53000000000014
TPSA？: 95.86
MolLogP？: 4.794000000000006
Number of H-Donors: 3
Number of H-Acceptors: 5
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|