| BioID | bio88468 |
|---|
| Name | None |
|---|
| ChEMBL ID | CHEMBL508381 |
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| Molecular Formula | C30H37NO12 |
|---|
| Molecular Weight | 603.62 |
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| Molecular Weight (Monoisotopic) | 603.2316 |
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| Type | Small molecule |
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| Max Phase | -- |
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| Target ID | Tar64 |
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| Target Name | None |
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| Synonyms | Pervilleine A N-oxide |
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| Smiles | COc1cc(/C=C/C(=O)O[C@@H]2C3C[C@@H](OC(=O)c4cc(OC)c(OC)c(OC)c4)CC([C@@H]2O)[N+]3(C)[O-])cc(OC)c1OC |
|---|
| Inchi | InChI=1S/C30H37NO12/c1-31(35)19-14-18(42-30(34)17-12-23(38-4)29(41-7)24(13-17)39-5)15-20(31)27(26(19)33)43-25(32)9-8-16-10-21(36-2)28(40-6)22(11-16)37-3/h8-13,18-20,26-27,33H,14-15H2,1-7H3/b9-8+/t18-,19?,20?,26-,27+,31?/m0/s1 |
|---|
| Inchi Key | IIQSEOKVYKKMBG-KOOYXILRSA-N |
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| Molecular Species | NEUTRAL |
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| Targets | 7.0 |
|---|
| Bioactivities | 11.0 |
|---|
| Np Likeness Score | 1.06 |
|---|
| Records Key | ['4, Pervilleine A N-oxide'] |
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| Records Name | ['3alpha-(3,4,5-trimethoxybenzoyloxy)-6beta-(E)-(3,4,5-trimethoxycinnamoyloxy)-7beta-hydroxytropaneN-oxide'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
