Bioactive Compound Details
| BioID | bio197477 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL504002 |
| Molecular Formula | C33H32N4O3 |
| Molecular Weight | 532.64 |
| Molecular Weight (Monoisotopic) | 532.2474 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | 13(2)-Epi-Chlorphyllone A |
| Smiles | C=Cc1c(C)c2cc3nc4c5c6[nH]c(cc7nc(cc1[nH]2)C(C)=C7CC)c(C)c6C(=O)[C@]5(O)C(=O)CC[C@H]4[C@@H]3C |
| Inchi | InChI=1S/C33H32N4O3/c1-7-18-14(3)21-11-23-16(5)20-9-10-27(38)33(40)29(30(20)36-23)31-28(32(33)39)17(6)24(37-31)13-26-19(8-2)15(4)22(35-26)12-25(18)34-21/h7,11-13,16,20,34,37,40H,1,8-10H2,2-6H3/b21-11-,22-12-,23-11-,24-13-,25-12-,26-13-/t16-,20-,33-/m0/s1 |
| Inchi Key | BYAAWIHEOPCXLJ-BVWKVXKSSA-N |
| Molecular Species | NEUTRAL |
| Targets | 1.0 |
| Bioactivities | 1.0 |
| Np Likeness Score | 1.64 |
| Records Key | ['5'] |
| Records Name | ['13(2)-epi-Chlorphyllone a'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
