Siphonodictyoic acid; Enantiomer, 18-deoxy, 18-(2-hydroxyacetyl)amino, 19-hydroxy, Me ester
AlkaPlorer ID: AK313632
Synonym: None
IUPAC Name: methyl 5-[(1,2,4a-trimethyl-5-methylidene-3,4,6,7,8,8a-hexahydro-2H-naphthalen-1-yl)methyl]-2,4-dihydroxy-3-[(2-hydroxyacetyl)amino]benzoate
Structure
SMILES: C=C1CCCC2C1(C)CCC(C)C2(C)CC1=C(O)C(NC(=O)CO)=C(O)C(C(=O)OC)=C1
InChI: InChI=1S/C25H35NO6/c1-14-7-6-8-18-24(14,3)10-9-15(2)25(18,4)12-16-11-17(23(31)32-5)22(30)20(21(16)29)26-19(28)13-27/h11,15,18,27,29-30H,1,6-10,12-13H2,2-5H3,(H,26,28)
InChIKey: JMPITXCUYSVFTM-UHFFFAOYSA-N
Reference
Combined biotransformations of 4(20),11-taxadienes
PubChem CID: 163140136
COCONUT: CNP0451694.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Spongia pertusa | Spongia | Spongiidae | Dictyoceratida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 445.5560000000002
TPSA？: 116.09000000000002
MolLogP？: 4.156500000000003
Number of H-Donors: 4
Number of H-Acceptors: 6
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|