loading...| Preferred Name |
camptothecin |
|
| Synonyms |
(4S)-4-ethyl-4-hydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione Camptothecin 20(S)-camptothecine (S)-(+)-camptothecin 21,22-Secocamptothecin-21-oic acid lactone D-camptothecin Camptothecine (+)-camptothecin (+)-camptothecine CPT |
|
| Definitions |
A pyranoindolizinoquinoline that is pyrano[3',4':6,7]indolizino[1,2-b]quinoline which is substituted by oxo groups at positions 3 and 14, and by an ethyl group and a hydroxy group at position 4 (the S enantiomer). |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_27656 |
|
| charge |
0 |
|
| database_cross_reference |
PMID:23676007 KNApSAcK:C00002145 DrugBank:DB04690 PMID:8965250 Reaxys:6075662 Wikipedia:Camptothecin KEGG:C01897 PMID:11024478 LINCS:LSM-4611 PMID:23344961 PMID:11549373 Beilstein:6075662 PMID:23474217 PDBeChem:EHD CAS:7689-03-4 |
|
| definition |
A pyranoindolizinoquinoline that is pyrano[3',4':6,7]indolizino[1,2-b]quinoline which is substituted by oxo groups at positions 3 and 14, and by an ethyl group and a hydroxy group at position 4 (the S enantiomer). |
|
| formula |
C20H16N2O4 |
|
| has role |
http://purl.obolibrary.org/obo/CHEBI_35610 http://purl.obolibrary.org/obo/CHEBI_76924 |
|
| has_alternative_id |
CHEBI:22997 CHEBI:3343 |
|
| has_exact_synonym |
(4S)-4-ethyl-4-hydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione Camptothecin |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
20(S)-camptothecine (S)-(+)-camptothecin 21,22-Secocamptothecin-21-oic acid lactone D-camptothecin Camptothecine (+)-camptothecin (+)-camptothecine CPT |
|
| id |
CHEBI:27656 |
|
| in_subset | ||
| inchi |
InChI=1S/C20H16N2O4/c1-2-20(25)14-8-16-17-12(7-11-5-3-4-6-15(11)21-17)9-22(16)18(23)13(14)10-26-19(20)24/h3-8,25H,2,9-10H2,1H3/t20-/m0/s1 |
|
| inchikey |
VSJKWCGYPAHWDS-FQEVSTJZSA-N |
|
| label |
camptothecin |
|
| mass |
348.35200 |
|
| monoisotopicmass |
348.11101 |
|
| notation |
CHEBI:27656 |
|
| prefLabel |
camptothecin |
|
| smiles |
CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccccc4cc3Cn1c2=O |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_18946 http://purl.obolibrary.org/obo/CHEBI_48626 |