Compound | Alkylresorcinol B |
NPACT-Id | NPACT00227 |
IUPAC | 5-[(8Z,11Z)-heptadeca-8,11-dienyl]benzene-1,3-diol |
Synonyms | - |
PubChem Id | - |
Class | Aliphatic natural products |
In-vitro anticancer activity | 1 cancer cell lines |
In-Vivo anticancer activity | No |
Targets | No targets found |
Properties | Physical Elemental Topological |
InChi Key | TUGAUFMQYWZJAB-BQYQJAHWSA-N |
InChi | 1S/C21H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-16-20(22)18-21(23)17-19/h7-8,16-18,22-23H,2-6,9-15H2,1H3/b8-7+ |
SMILES | c1(cc(cc(c1)CCCCCCC/C=C/CCCCCC)O)O |
SMART | [#6]CCCCCC=CCCCCCCCC1=CC(O)=CC(O)=C1 |
CAS No. | - |
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Structure Download |
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Cross Refrence in other databases |
Super Natural | - |
CTD | - |
HIT | - |
NCI-60 GI50 data | - |
Suppliers | NA, |
Drug-Likeliness Filters | Lipinski's rule of five | No |
Ghose filter | No |
Veber filter | No |
Muegge Filter | No |
Similarity Search | Human metabolite database | FDA approved drugs |