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CHEBI:231759 - HPI-1
| Formula | C27H29NO6 |
| Net Charge | 0 |
| Average Mass | 463.530 |
| Monoisotopic Mass | 463.19949 |
| SMILES | COCCOC(=O)C1=C(C)NC2=C(C(=O)CC(c3ccccc3OC)C2)C1c1cccc(O)c1 |
| InChI | InChI=1S/C27H29NO6/c1-16-24(27(31)34-12-11-32-2)25(17-7-6-8-19(29)13-17)26-21(28-16)14-18(15-22(26)30)20-9-4-5-10-23(20)33-3/h4-10,13,18,25,28-29H,11-12,14-15H2,1-3H3 |
| InChIKey | ZXSWZQSYZYMZKS-UHFFFAOYSA-N |
| Roles Classification |
|---|
| Biological Role: | Hedgehog signaling pathway inhibitor Any pathway inhibitor that inhibits the Hedgehog signalling pathway. |
| Application: | antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| HPI-1 (CHEBI:231759) has role antineoplastic agent (CHEBI:35610) |
| HPI-1 (CHEBI:231759) has role Hedgehog signaling pathway inhibitor (CHEBI:140921) |
| HPI-1 (CHEBI:231759) is a enoate ester (CHEBI:51702) |
| HPI-1 (CHEBI:231759) is a ether (CHEBI:25698) |
| HPI-1 (CHEBI:231759) is a monomethoxybenzene (CHEBI:25235) |
| HPI-1 (CHEBI:231759) is a phenols (CHEBI:33853) |
| HPI-1 (CHEBI:231759) is a quinolone (CHEBI:23765) |
| IUPAC Name |
|---|
| 2-methoxyethyl 4-(3-hydroxyphenyl)-7-(2-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Synonyms | Source |
|---|---|
| 2-methoxyethyl-4-(3-hydroxyphenyl)-7-(2-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate | SUBMITTER |
| Hh Signaling Antagonist XII | SUBMITTER |
| 2-methoxyethyl 1,4,5,6,7,8-hexahydro-4-(3-hydroxyphenyl)-7-(2-methoxyphenyl)-2-methyl-5-oxo-3-quinolinecarboxylate | ChEBI |
| HPI1 | ChEBI |
| HPI 1 | ChEBI |
| Hedgehog Pathway Inhibitor-1 | ChEBI |
| Registry Numbers | Sources |
|---|---|
| CAS:599150-20-6 | SUBMITTER |
| Citations |
|---|