22-hydroxyhaliclonacyclamine B
AlkaPlorer ID: AK002238
Synonym: None
IUPAC Name: (6Z,12S,14S,23Z,29S,30S)-1,16-diazatetracyclo[27.3.1.112,16.014,30]tetratriaconta-6,23-dien-18-ol
Structure
SMILES: C1CC[C@H]2C[C@@H]3CN(C2)CC(CCCC/C=C\CCCC[C@H]4[C@@H]3CCN(C4)CCCC/C=C\C1)O
InChI: InChI=1S/C32H56N2O/c35-31-19-15-11-7-2-1-6-10-14-18-29-25-33-21-16-12-8-4-3-5-9-13-17-28-23-30(32(29)20-22-33)26-34(24-28)27-31/h1-4,28-32,35H,5-27H2/b2-1-,4-3-/t28-,29+,30+,31?,32-/m0/s1
InChIKey: BYJOBSTZJUHYOY-RGFBJLLSSA-N
Reference
PubChem CID: 44475179
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Haliclona sp. | Haliclona | Chalinidae | Haplosclerida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 484.81300000000044
TPSA？: 26.71
MolLogP？: 7.21460000000001
Number of H-Donors: 1
Number of H-Acceptors: 3
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Mycobacterium tuberculosis variant bovis | Mycobacterium tuberculosis variant bovis | IC | 12.5 | ug ml-1 | 10.1016/j.ejmech.2017.06.005 |
| Mycolicibacterium smegmatis | Mycolicibacterium smegmatis | IC | 12.5 | ug ml-1 | 10.1016/j.ejmech.2017.06.005 |