Compound | Isochamuvaretin |
NPACT-Id | NPACT01403 |
IUPAC | 1-[1,3-dihydroxy-2-[(2-hydroxyphenyl)methyl]-9H-xanthen-4-yl]-3-phenylpropan-1-one |
Synonyms | - |
PubChem Id | 10411554 |
Class | Flavonoid |
In-vitro anticancer activity | 1 cancer cell lines |
In-Vivo anticancer activity | No |
Targets | No targets found |
Properties | Physical Elemental Topological |
InChi Key | VBENIJLFKRPAAF-UHFFFAOYSA-N |
InChi | 1S/C29H24O5/c30-23-12-6-4-10-19(23)16-21-27(32)22-17-20-11-5-7-13-25(20)34-29(22)26(28(21)33)24(31)15-14-18-8-2-1-3-9-18/h1-13,30,32-33H,14-17H2 |
SMILES | O1c2c(Cc3c1cccc3)c(O)c(c(O)c2C(=O)CCc1ccccc1)Cc1c(O)cccc1 |
SMART | OC1=CC=CC=C1CC1=C(O)C(C(=O)CCC2=CC=CC=C2)=C2OC3=CC=CC=C3CC2=C1O |
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 | Yes |
Muegge Filter | No |
Similarity Search | Human metabolite database | FDA approved drugs |