loading...| Preferred Name |
metachromin T |
| Synonyms |
(2SS)-6,8-dimethoxy-2-methyl-2-{2-[(1R,2S)-1,2,3-trimethylcyclohex-3-en-1-yl]ethyl}-2H-chromen-5-ol |
| Definitions |
A sesquiterpenoid that is 6,8-dimethoxy-2,2-dimethyl-2H-chromen-5-ol in which the hydrogen of one of the methyl groups at position 2 is replaced by a [(1R,2S)-1,2,3-trimethylcyclohex-3-en-1-yl]methyl group. It is isolated from an Okinawan sponge Spongia sp.SS-1037 and shows moderate cytotoxicity against L1210 murine leukemia and KB human epidermoid carcinoma cells. |
| ID |
http://purl.obolibrary.org/obo/CHEBI_66696 |
| charge |
0 |
| database_cross_reference |
Reaxys:18556300 PMID:18057748 Chemspider:23076806 |
| definition |
A sesquiterpenoid that is 6,8-dimethoxy-2,2-dimethyl-2H-chromen-5-ol in which the hydrogen of one of the methyl groups at position 2 is replaced by a [(1R,2S)-1,2,3-trimethylcyclohex-3-en-1-yl]methyl group. It is isolated from an Okinawan sponge Spongia sp.SS-1037 and shows moderate cytotoxicity against L1210 murine leukemia and KB human epidermoid carcinoma cells. |
| formula |
C23H32O4 |
| has role | |
| has_exact_synonym |
(2SS)-6,8-dimethoxy-2-methyl-2-{2-[(1R,2S)-1,2,3-trimethylcyclohex-3-en-1-yl]ethyl}-2H-chromen-5-ol |
| has_obo_namespace |
chebi_ontology |
| id |
CHEBI:66696 |
| in_subset | |
| inchi |
InChI=1S/C23H32O4/c1-15-8-7-10-22(3,16(15)2)12-13-23(4)11-9-17-20(24)18(25-5)14-19(26-6)21(17)27-23/h8-9,11,14,16,24H,7,10,12-13H2,1-6H3/t16-,22-,23-/m1/s1 |
| inchikey |
KDDVGLFIPJEMAU-ZGNKEGEESA-N |
| label |
metachromin T |
| mass |
372.49780 |
| monoisotopicmass |
372.23006 |
| notation |
CHEBI:66696 |
| prefLabel |
metachromin T |
| smiles |
COc1cc(OC)c2O[C@@](C)(CC[C@@]3(C)CCC=C(C)[C@H]3C)C=Cc2c1O |
| treeView |
http://purl.obolibrary.org/obo/CHEBI_26658 http://purl.obolibrary.org/obo/CHEBI_23232 |
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_26658 http://purl.obolibrary.org/obo/CHEBI_23232 |
| Delete | Mapping To | Ontology | Source |
|---|---|---|---|
| http://purl.bioontology.org/ontology/MESH/C526057 | Medical Subject Headings / 医学主题词表 | LOOM |