Compound | 1,2-Di-O-(9Z,12Z,15Z-octadecatrienoyl)-3-O-(6-amine-6-deoxy-alpha-D-glucosyl)-glycerol |
NPACT-Id | NPACT01533 |
IUPAC | - |
Synonyms | - |
PubChem Id | - |
Class | Aliphatic natural products |
In-vitro anticancer activity | 3 cancer cell lines |
In-Vivo anticancer activity | No |
Targets | No targets found |
Properties | Physical Elemental Topological |
InChi Key | KZLLZUOCJBTZQU-YTWBPVBXSA-N |
InChi | 1S/C45H75NO9/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(47)52-36-38(37-53-45-44(51)43(50)42(49)39(35-46)55-45)54-41(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,38-39,42-45,49-51H,3-4,9-10,15-16,21-37,46H2,1-2H3/b7-5-,8-6-,13- |
SMILES | C(C(COC1OC(C(C(C1O)O)O)CN)OC(=O)CCCCCCC/C=CC/C=CC/C=CCC)OC(=O)CCCCCCC/C=CC/C=CC/C=CCC |
SMART | [#6]CC=C/CC=C/CC=C/CCCCCCCC(=O)OCC(COC1OC(C[#7])C(O)C(O)C1O)OC(=O)CCCCCCCC=C/CC=C/CC=C/C[#6] |
CAS No. | - |
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Structure Download |
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Cross Refrence in other databases |
Super Natural | - |
CTD | C447024 |
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 |