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ScientificNameLabel
Grossamide
PHCD compound ID : 1290
Chemical Names :
Grossamide
Molecular Formula : C36H36N2O8
Molecular Weight : 624.247166
More Details :
Names & Synonyms: (2S,3S)-2-(4-hydroxy-3-methoxy-phenyl)-N-[2-(4-hydroxyphenyl)ethyl]-5-[(E)-3-[2-(4-hydroxyphenyl)ethylamino]-3-oxo-prop-1-enyl]-7-methoxy-2,3-dihydrobenzofuran-3-carboxamide , (2S,3S)-2-(4-hydroxy-3-methoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]-5-[(E)-3-[2-(4-hydroxyphenyl)ethylamino]-3-oxoprop-1-enyl]-7-methoxy-2,3-dihydrobenzofuran-3-carboxamide , (2S,3S)-2-(4-hydroxy-3-methoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]-5-[(E)-3-[2-(4-hydroxyphenyl)ethylamino]-3-oxoprop-1-enyl]-7-methoxy-2,3-dihydro-1-benzofuran-3-carboxamide , (2S,3S)-N-[2-(4-hydroxyphenyl)ethyl]-5-[(E)-3-[2-(4-hydroxyphenyl)ethylamino]-3-oxidanylidene-prop-1-enyl]-7-methoxy-2-(3-methoxy-4-oxidanyl-phenyl)-2,3-dihydro-1-benzofuran-3-carboxamide , (2S,3S)-2-(4-hydroxy-3-methoxy-phenyl)-N-[2-(4-hydroxyphenyl)ethyl]-5-[(E)-3-[2-(4-hydroxyphenyl)ethylamino]-3-keto-prop-1-enyl]-7-methoxy-coumaran-3-carboxamide
Smiles: COc1cc(/C=C/C(=O)NCCc2ccc(cc2)O)cc2c1O[C@@H]([C@H]2C(=O)NCCc1ccc(cc1)O)c1ccc(c(c1)OC)O
InChi : InChI=1S/C36H36N2O8/c1-44-30-21-25(8-13-29(30)41)34-33(36(43)38-18-16-23-5-11-27(40)12-6-23)28-19-24(20-31(45-2)35(28)46-34)7-14-32(42)37-17-15-22-3-9-26(39)10-4-22/h3-14,19-21,33-34,39-41H,15-18H2,1-2H3,(H,37,42)(H,38,43)/b14-7+/t33-,34+/m0/s1
InChi Key : InChIKey=DROXVBRNXCRUHP-XALRPAEYSA-N
PubChem ID : 101262727
Rotatable bond count : 14 Rule of five : 1
Hydrogen bond acceptor count : 10 Ionization potential : 8.533512
Hydrogen bond donor count : 5 Electric dipole moment : 7.241
XLogP : 1.437 VDW volume : 578.598065
Molecular weight : 624.247166 HOMO-LUMO gap : 8.138000
Herb list :
Refrences & Litretures:
  
139.      Journal:'Res. J. Seed Sci'      Year:'2010'      Volume:'3'      Page:'210'      DOI:''      Title:'Bioactive Non-alkaloidal Secondary Metabolites of Hyoscyamus niger Linn. Seeds: A Review'
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