17-Amino-3,7,11-cembratrien-16,2-olid-19-oic acid; (1S,2S,3E,7E,11E,15R)-form, N,N-Di-Me
AlkaPlorer ID: AK284540
Synonym: 17-Dimethylaminolobohedleolide (incorr.)
IUPAC Name: 3-[(dimethylamino)methyl]-6,14-dimethyl-2-oxo-3a,4,5,8,9,12,13,15a-octahydro-3H-cyclotetradeca[b]furan-10-carboxylic acid
Structure
SMILES: CC1=CC2OC(=O)C(CN(C)C)C2CCC(C)=CCCC(C(=O)O)=CCC1
InChI: InChI=1S/C22H33NO4/c1-15-7-5-9-17(21(24)25)10-6-8-16(2)13-20-18(12-11-15)19(14-23(3)4)22(26)27-20/h7,10,13,18-20H,5-6,8-9,11-12,14H2,1-4H3,(H,24,25)
InChIKey: HRPBIJBOFQXOTL-UHFFFAOYSA-N
Reference
Cytotoxic and Anti-inflammatory Cembranoids from the Soft Coral <i>Lobophytum crassum</i>
PubChem CID: 78411995
LOTUS: LTS0115492
COCONUT: CNP0205092.5
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Lobophytum sp. | Lobophytum | Alcyoniidae | Malacalcyonacea | Anthozoa | Cnidaria | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 375.5090000000002
TPSA？: 66.84
MolLogP？: 3.963600000000003
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|