loading...| Preferred Name |
wortmannin |
|
| Synonyms |
(1S,6bR,9aS,11R,11bR)-9a,11b-dimethyl-1-[(methyloxy)methyl]-3,6,9-trioxo-1,6,6b,7,8,9,9a,10,11,11b-decahydro-3H-furo[4,3,2-de]indeno[4,5-h]isochromen-11-yl acetate Wartmannin |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_52289 |
|
| charge |
0 |
|
| database_cross_reference |
PMID:32052028 PMID:34306363 PMID:27375631 PMID:11090628 MetaCyc:CPD-11924 Reaxys:67676 PMID:19805105 PMID:28474885 CAS:19545-26-7 HMDB:HMDB0259902 PMID:25449276 PMID:22056625 DrugBank:DB08059 PMID:18703838 LINCS:LSM-3947 PDBeChem:KWT Wikipedia:Wortmannin PMID:22003059 PMID:20017609 KNApSAcK:C00023672 PMID:22524784 PMID:28000865 PMID:30036994 Beilstein:67676 KEGG:C15181 |
|
| formula |
C23H24O8 |
|
| has role |
http://purl.obolibrary.org/obo/CHEBI_50914 http://purl.obolibrary.org/obo/CHEBI_35610 http://purl.obolibrary.org/obo/CHEBI_149553 http://purl.obolibrary.org/obo/CHEBI_176497 http://purl.obolibrary.org/obo/CHEBI_88230 |
|
| has_alternative_id |
CHEBI:43674 |
|
| has_exact_synonym |
(1S,6bR,9aS,11R,11bR)-9a,11b-dimethyl-1-[(methyloxy)methyl]-3,6,9-trioxo-1,6,6b,7,8,9,9a,10,11,11b-decahydro-3H-furo[4,3,2-de]indeno[4,5-h]isochromen-11-yl acetate |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
Wartmannin |
|
| id |
CHEBI:52289 |
|
| in_subset | ||
| inchi |
InChI=1S/C23H24O8/c1-10(24)30-13-7-22(2)12(5-6-14(22)25)16-18(13)23(3)15(9-28-4)31-21(27)11-8-29-20(17(11)23)19(16)26/h8,12-13,15H,5-7,9H2,1-4H3/t12-,13+,15+,22-,23-/m0/s1 |
|
| inchikey |
QDLHCMPXEPAAMD-QAIWCSMKSA-N |
|
| label |
wortmannin |
|
| mass |
428.437 |
|
| monoisotopicmass |
428.14712 |
|
| notation |
CHEBI:52289 |
|
| prefLabel |
wortmannin |
|
| smiles |
[H][C@@]12CCC(=O)[C@@]1(C)C[C@@H](OC(C)=O)C1=C2C(=O)C2=C3C(=CO2)C(=O)O[C@H](COC)[C@]13C |
|
| treeView |
http://purl.obolibrary.org/obo/CHEBI_47622 http://purl.obolibrary.org/obo/CHEBI_38164 |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_47622 http://purl.obolibrary.org/obo/CHEBI_38164 |