Concept information
Preferred term
5-methoxy-8-(2'-hydroxy-3'-buthoxy-3'-methylbutyloxy)psoralen
Type
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
Broader concept
charge
- 0
formula
- C21H26O7
has_functional_parent
has_role
- CHEBI:64964
- cyclooxygenase 2 inhibitor
- metabolite
inchi
- InChI=1S/C21H26O7/c1-5-6-10-27-21(2,3)15(22)12-26-20-18-14(9-11-25-18)17(24-4)13-7-8-16(23)28-19(13)20/h7-9,11,15,22H,5-6,10,12H2,1-4H3/t15-/m1/s1
inchikey
- HYFWQORTIZQRLZ-OAHLLOKOSA-N
mass
- 390.42690
monoisotopicmass
- 390.16785
smiles
- CCCCOC(C)(C)[C@H](O)COc1c2occc2c(OC)c2ccc(=O)oc12
subset
- 3_STAR
synonym EXACT
- 9-{[(2R)-3-butoxy-2-hydroxy-3-methylbutyl]oxy}-4-methoxy-7H-furo[3,2-g]chromen-7-one
In other languages
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:66697
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