| BioID | bio199204 |
|---|
| Name | None |
|---|
| ChEMBL ID | CHEMBL76814 |
|---|
| Molecular Formula | C28H40O9 |
|---|
| Molecular Weight | 520.62 |
|---|
| Molecular Weight (Monoisotopic) | 520.2672 |
|---|
| Type | Small molecule |
|---|
| Max Phase | -- |
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| Target ID | Tar81 |
|---|
| Target Name | None |
|---|
| Synonyms | 2-Deacetoxydecinnamoyltaxinine-J |
|---|
| Smiles | C=C1[C@H]2C[C@@H]3C[C@H](OC(C)=O)C(C)=C([C@@H](OC(C)=O)[C@H](OC(C)=O)[C@]2(C)[C@@H](OC(C)=O)C[C@@H]1O)C3(C)C |
|---|
| Inchi | InChI=1S/C28H40O9/c1-13-20-10-19-11-22(34-15(3)29)14(2)24(27(19,7)8)25(36-17(5)31)26(37-18(6)32)28(20,9)23(12-21(13)33)35-16(4)30/h19-23,25-26,33H,1,10-12H2,2-9H3/t19-,20-,21+,22+,23+,25-,26+,28+/m1/s1 |
|---|
| Inchi Key | WOKHREABHMWBBE-CNZAUHOSSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 5.0 |
|---|
| Bioactivities | 7.0 |
|---|
| Np Likeness Score | 2.9 |
|---|
| Records Key | ['23', '9', '9'] |
|---|
| Records Name | ['Acetic acid 7,9,13-triacetoxy-5-hydroxy-8,12,15,15-tetramethyl-4-methylene-tricyclo[9.3.1.0*3,8*]pentadec-11-en-10-yl ester', 'Acetic acid 7,10,13-triacetoxy-5-hydroxy-8,12,15,15-tetramethyl-4-methylene-tricyclo[9.3.1.03,8]pentadec-11-en-9-yl ester', '2-deacetoxydecinnamoyltaxinine-J'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
