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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > alkaloid > harmala alkaloid > [(1s)-2-(1,3-benzodioxol-5-ylmethyl)-1'-ethylsulfonyl-7-methoxy-9-methyl-1-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]yl]methanol
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic polycyclic compound > organic tricyclic compound > organic heterotricyclic compound > pyridoindole > beta-carbolines > harmala alkaloid > [(1s)-2-(1,3-benzodioxol-5-ylmethyl)-1'-ethylsulfonyl-7-methoxy-9-methyl-1-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]yl]methanol
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic polycyclic compound > organic tricyclic compound > organic heterotricyclic compound > pyridoindole > beta-carbolines > harmala alkaloid > [(1s)-2-(1,3-benzodioxol-5-ylmethyl)-1'-ethylsulfonyl-7-methoxy-9-methyl-1-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]yl]methanol
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > polycyclic compound > organic polycyclic compound > organic tricyclic compound > organic heterotricyclic compound > pyridoindole > beta-carbolines > harmala alkaloid > [(1s)-2-(1,3-benzodioxol-5-ylmethyl)-1'-ethylsulfonyl-7-methoxy-9-methyl-1-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]yl]methanol
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > organic heterotricyclic compound > pyridoindole > beta-carbolines > harmala alkaloid > [(1s)-2-(1,3-benzodioxol-5-ylmethyl)-1'-ethylsulfonyl-7-methoxy-9-methyl-1-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]yl]methanol
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > organic heterotricyclic compound > pyridoindole > beta-carbolines > harmala alkaloid > [(1s)-2-(1,3-benzodioxol-5-ylmethyl)-1'-ethylsulfonyl-7-methoxy-9-methyl-1-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]yl]methanol
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organonitrogen heterocyclic compound > pyridoindole > beta-carbolines > harmala alkaloid > [(1s)-2-(1,3-benzodioxol-5-ylmethyl)-1'-ethylsulfonyl-7-methoxy-9-methyl-1-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]yl]methanol
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > pyridoindole > beta-carbolines > harmala alkaloid > [(1s)-2-(1,3-benzodioxol-5-ylmethyl)-1'-ethylsulfonyl-7-methoxy-9-methyl-1-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]yl]methanol
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > pyridoindole > beta-carbolines > harmala alkaloid > [(1s)-2-(1,3-benzodioxol-5-ylmethyl)-1'-ethylsulfonyl-7-methoxy-9-methyl-1-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]yl]methanol

Preferred term

[(1s)-2-(1,3-benzodioxol-5-ylmethyl)-1'-ethylsulfonyl-7-methoxy-9-methyl-1-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]yl]methanol  

Type

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

Broader concept

charge

  • 0

formula

  • C26H31N3O6S

inchi

  • InChI=1S/C26H31N3O6S/c1-4-36(31,32)29-14-26(15-29)13-28(11-17-5-8-22-23(9-17)35-16-34-22)21(12-30)25-24(26)19-7-6-18(33-3)10-20(19)27(25)2/h5-10,21,30H,4,11-16H2,1-3H3/t21-/m1/s1

inchikey

  • PXYBFBFRDGPFAL-OAQYLSRUSA-N

mass

  • 513.608

monoisotopicmass

  • 513.19336

smiles

  • CCS(=O)(=O)N1CC2(C1)CN([C@@H](C3=C2C4=C(N3C)C=C(C=C4)OC)CO)CC5=CC6=C(C=C5)OCO6

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:130971

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