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Concept information

... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > hydroxyflavan > catechin > (2r,3s)-2-(3,4-dimethoxyphenyl)-8-iodo-5,7-dimethoxy-3,4-dihydro-2h-1-benzopyran-3-ol
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic aromatic compound > phenylpropanoid > flavans > hydroxyflavan > catechin > (2r,3s)-2-(3,4-dimethoxyphenyl)-8-iodo-5,7-dimethoxy-3,4-dihydro-2h-1-benzopyran-3-ol
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic aromatic compound > phenylpropanoid > flavans > hydroxyflavan > catechin > (2r,3s)-2-(3,4-dimethoxyphenyl)-8-iodo-5,7-dimethoxy-3,4-dihydro-2h-1-benzopyran-3-ol
... > organooxygen compound > oxacycle > benzopyran > 1-benzopyran > flavans > hydroxyflavan > catechin > (2r,3s)-2-(3,4-dimethoxyphenyl)-8-iodo-5,7-dimethoxy-3,4-dihydro-2h-1-benzopyran-3-ol
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > oxacycle > benzopyran > 1-benzopyran > flavans > hydroxyflavan > catechin > (2r,3s)-2-(3,4-dimethoxyphenyl)-8-iodo-5,7-dimethoxy-3,4-dihydro-2h-1-benzopyran-3-ol
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > benzopyran > 1-benzopyran > flavans > hydroxyflavan > catechin > (2r,3s)-2-(3,4-dimethoxyphenyl)-8-iodo-5,7-dimethoxy-3,4-dihydro-2h-1-benzopyran-3-ol

Preferred term

(2r,3s)-2-(3,4-dimethoxyphenyl)-8-iodo-5,7-dimethoxy-3,4-dihydro-2h-1-benzopyran-3-ol  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C19H21IO6

inchi

  • InChI=1S/C19H21IO6/c1-22-13-6-5-10(7-15(13)24-3)18-12(21)8-11-14(23-2)9-16(25-4)17(20)19(11)26-18/h5-7,9,12,18,21H,8H2,1-4H3/t12-,18+/m0/s1

inchikey

  • VTUMIISWLFIURS-KPZWWZAWSA-N

mass

  • 472.272

monoisotopicmass

  • 472.03828

smiles

  • COC1=C(C=C(C=C1)[C@@H]2[C@H](CC3=C(O2)C(=C(C=C3OC)OC)I)O)OC

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:108585

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