Reticulidin A
AlkaPlorer ID: AK023601
Synonym: None
IUPAC Name: (2R,3R,4aR,8aR)-3-chloro-7-[(E)-2-(dichloromethylideneamino)ethenyl]-4,4,8a-trimethyl-1,2,3,4a,5,6-hexahydronaphthalen-2-ol
Structure
SMILES: CC1(C)[C@@H](Cl)[C@H](O)C[C@]2(C)C=C(/C=C/N=C(Cl)Cl)CC[C@@H]12
InChI: InChI=1S/C16H22Cl3NO/c1-15(2)12-5-4-10(6-7-20-14(18)19)8-16(12,3)9-11(21)13(15)17/h6-8,11-13,21H,4-5,9H2,1-3H3/b7-6+/t11-,12+,13+,16+/m1/s1
InChIKey: UGFPVWDJDIORFX-OWXJXJPQSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Reticulidia fungia | Reticulidia | Phyllidiidae | Nudibranchia | Gastropoda | Mollusca | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 350.7170000000001
TPSA？: 32.59
MolLogP？: 5.074600000000004
Number of H-Donors: 1
Number of H-Acceptors: 2
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | KB | IC50 | 0.41 | ug.mL-1 | 10.1021/np990186j |
| Mus musculus | L1210 | IC50 | 0.59 | ug.mL-1 | 10.1021/np990186j |