Halichonine A; Deoxy
AlkaPlorer ID: AK299901
Synonym: Halichonine B
IUPAC Name: N'-[(2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl)methyl]-N,N'-bis(3-methylbut-2-enyl)butane-1,4-diamine
Structure
SMILES: CC(C)=CCNCCCCN(CC=C(C)C)CC1C(C)=CCC2C(C)(C)CCCC12C
InChI: InChI=1S/C29H52N2/c1-23(2)14-19-30-18-9-10-20-31(21-15-24(3)4)22-26-25(5)12-13-27-28(6,7)16-11-17-29(26,27)8/h12,14-15,26-27,30H,9-11,13,16-22H2,1-8H3
InChIKey: XCLQLVOVBWDWOP-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Halichondria okadai | Halichondria | Halichondriidae | Suberitida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 428.7490000000003
TPSA？: 15.27
MolLogP？: 7.389400000000009
Number of H-Donors: 1
Number of H-Acceptors: 2
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|