Halichonine A; 3-Ketone
AlkaPlorer ID: AK299902
Synonym: Halichonine C
IUPAC Name: 1,1,4a,6-tetramethyl-5-[[3-methylbut-2-enyl-[4-(3-methylbut-2-enylamino)butyl]amino]methyl]-4,5,8,8a-tetrahydro-3H-naphthalen-2-one
Structure
SMILES: CC(C)=CCNCCCCN(CC=C(C)C)CC1C(C)=CCC2C(C)(C)C(=O)CCC12C
InChI: InChI=1S/C29H50N2O/c1-22(2)14-18-30-17-9-10-19-31(20-15-23(3)4)21-25-24(5)11-12-26-28(6,7)27(32)13-16-29(25,26)8/h11,14-15,25-26,30H,9-10,12-13,16-21H2,1-8H3
InChIKey: KFDJLXAKTXMEBA-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Halichondria okadai | Halichondria | Halichondriidae | Suberitida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 442.7320000000003
TPSA？: 32.34
MolLogP？: 6.5684000000000085
Number of H-Donors: 1
Number of H-Acceptors: 3
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|