178176-75-5
AlkaPlorer ID: AK014236
Synonym: None
IUPAC Name: (1R,5S,6R,7E,9S,10Z,19S)-11-chloro-9-hydroxy-6-methyl-14-oxa-23-azatetracyclo[14.6.2.01,5.019,23]tetracosa-7,10,16-trien-15-one
Structure
SMILES: C[C@@H]1/C=C/[C@H](O)/C=C(\Cl)CCOC(=O)C2=CC[C@@H]3CCC[C@@]4(CCC[C@@H]14)N3C2
InChI: InChI=1S/C23H32ClNO3/c1-16-6-9-20(26)14-18(24)10-13-28-22(27)17-7-8-19-4-2-11-23(25(19)15-17)12-3-5-21(16)23/h6-7,9,14,16,19-21,26H,2-5,8,10-13,15H2,1H3/b9-6+,18-14-/t16-,19+,20+,21+,23+/m1/s1
InChIKey: ONRNPNQJAQBNOL-KSYYMMPFSA-N
Reference
Halichlorine, an inhibitor of VCAM-1 induction from the marine sponge Halichondria okadai Kadata
PubChem CID: 21589588
LOTUS: LTS0264162
SuperNatural Ⅲ: SN0270443-05
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Halichondria okadai | Halichondria | Halichondriidae | Suberitida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 405.9660000000003
TPSA？: 49.77
MolLogP？: 4.332700000000004
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|