N3Z
~{N}-[(10~{S})-3,4,5-trimethoxy-16-methylidene-14-oxatetracyclo[9.7.0.0^{2,7}.0^{13,17}]octadeca-1(18),2,4,6,11,13(17)-hexaen-10-yl]ethanamide
| Created: | 2019-11-11 |
| Last modified: | 2020-09-02 |
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Chemical Details | |
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| Formal Charge | 0 |
| Atom Count | 54 |
| Chiral Atom Count | 1 |
| Bond Count | 57 |
| Aromatic Bond Count | 12 |
Chemical Component Summary | |
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| Name | ~{N}-[(10~{S})-3,4,5-trimethoxy-16-methylidene-14-oxatetracyclo[9.7.0.0^{2,7}.0^{13,17}]octadeca-1(18),2,4,6,11,13(17)-hexaen-10-yl]ethanamide |
| Systematic Name (OpenEye OEToolkits) | ~{N}-[(10~{S})-3,4,5-trimethoxy-16-methylidene-14-oxatetracyclo[9.7.0.0^{2,7}.0^{13,17}]octadeca-1(18),2,4,6,11,13(17)-hexaen-10-yl]ethanamide |
| Formula | C23 H25 N O5 |
| Molecular Weight | 395.448 |
| Type | NON-POLYMER |
Chemical Descriptors | |||
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| Type | Program | Version | Descriptor |
| SMILES | CACTVS | 3.385 | COc1cc2CC[CH](NC(C)=O)c3cc4OCC(=C)c4cc3c2c(OC)c1OC |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)NC1CCc2cc(c(c(c2-c3c1cc4c(c3)C(=C)CO4)OC)OC)OC |
| Canonical SMILES | CACTVS | 3.385 | COc1cc2CC[C@H](NC(C)=O)c3cc4OCC(=C)c4cc3c2c(OC)c1OC |
| Canonical SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)N[C@H]1CCc2cc(c(c(c2-c3c1cc4c(c3)C(=C)CO4)OC)OC)OC |
| InChI | InChI | 1.03 | InChI=1S/C23H25NO5/c1-12-11-29-19-10-16-17(9-15(12)19)21-14(6-7-18(16)24-13(2)25)8-20(26-3)22(27-4)23(21)28-5/h8-10,18H,1,6-7,11H2,2-5H3,(H,24,25)/t18-/m0/s1 |
| InChIKey | InChI | 1.03 | DQVCQNGCZCOGHU-SFHVURJKSA-N |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 154573904 |
