2-Amino-15-methyl-4-hexadecene-1,3-diol; (2S,3R,4E)-form, N-(21-Methyldocosanoyl)
AlkaPlorer ID: AK286323
Synonym: Oceanapin B
IUPAC Name: N-[(E)-1,3-dihydroxy-15-methylhexadec-4-en-2-yl]-21-methyldocosanamide
Structure
SMILES: CC(C)CCCCCCCCC/C=C/C(O)C(CO)NC(=O)CCCCCCCCCCCCCCCCCCCC(C)C
InChI: InChI=1S/C40H79NO3/c1-36(2)31-27-23-19-15-12-10-8-6-5-7-9-11-13-18-22-26-30-34-40(44)41-38(35-42)39(43)33-29-25-21-17-14-16-20-24-28-32-37(3)4/h29,33,36-39,42-43H,5-28,30-32,34-35H2,1-4H3,(H,41,44)/b33-29+
InChIKey: YCQRFGFDYJPLCQ-XPXRSFDGSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Oceanapia | Phloeodictyidae | Haplosclerida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 622.0760000000002
TPSA？: 69.56
MolLogP？: 11.615399999999989
Number of H-Donors: 3
Number of H-Acceptors: 3
RingCount: 0
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|