Labiatamide A; 3-Deacetoxy
AlkaPlorer ID: AK303876
Synonym: Labiatamide B
IUPAC Name: [12-[acetyl(methyl)amino]-9-acetyloxy-3,9-dimethyl-13-methylidene-6-propan-2-yl-15-oxatricyclo[6.6.1.02,7]pentadecan-3-yl] acetate
Structure
SMILES: C=C1CC2OC(C3C(C(C)C)CCC(C)(OC(C)=O)C23)C(C)(OC(C)=O)CCC1N(C)C(C)=O
InChI: InChI=1S/C27H43NO6/c1-15(2)20-10-12-26(7,33-18(5)30)24-22-14-16(3)21(28(9)17(4)29)11-13-27(8,34-19(6)31)25(32-22)23(20)24/h15,20-25H,3,10-14H2,1-2,4-9H3
InChIKey: LVNWDLBICFYRRZ-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Eunicella | Eunicellidae | Malacalcyonacea | Anthozoa | Cnidaria | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 477.6420000000003
TPSA？: 82.14000000000001
MolLogP？: 4.282800000000004
Number of H-Donors: 0
Number of H-Acceptors: 6
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|