(1R,5S,6R,9S,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
AlkaPlorer ID: AK480216
Synonym: None
IUPAC Name: (1S,6S,7Z,9R,10Z,19R)-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(CCCC14)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+/m0/s1
InChIKey: ONRNPNQJAQBNOL-VTOJWWOYSA-N
Reference
Halichlorine, an inhibitor of VCAM-1 induction from the marine sponge Halichondria okadai Kadata
PubChem CID: 101986051
LOTUS: LTS0080900
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 |
|---|