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ScientificNameLabel
Oxychelidonine
PHCD compound ID : 5167
Chemical Names :
Oxychelidonine
Molecular Formula : C20H17N1O6
Molecular Weight : 367.105587
More Details :
Names & Synonyms: 12-hydroxy-24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-2,4(8),9,14(22),15,17(21)-hexaen-23-one , 12-hydroxy-24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-2,4(8),9,14(22),15,17(21)-hexaen-23-one , 24-methyl-12-oxidanyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-2,4(8),9,14(22),15,17(21)-hexaen-23-one
Smiles: O[C@@H]1Cc2cc3OCOc3cc2[C@H]2[C@@H]1c1ccc3c(c1C(=O)N2C)OCO3
InChi : InChI=1S/C20H17NO6/c1-21-18-11-6-15-14(25-7-26-15)5-9(11)4-12(22)16(18)10-2-3-13-19(27-8-24-13)17(10)20(21)23/h2-3,5-6,12,16,18,22H,4,7-8H2,1H3/t12-,16-,18+/m1/s1
InChi Key : InChIKey=UPVAYLMWVRMHNE-NJAPINKUSA-N
PubChem ID : 268004
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 7 Ionization potential : 8.901454
Hydrogen bond donor count : 1 Electric dipole moment : 4.381
XLogP : 0.457 VDW volume : 303.820309
Molecular weight : 367.105587 HOMO-LUMO gap : 8.340000
Herb list :
Refrences & Litretures:
  
819.      Journal:'Chemistry and Ecology'      Year:'2018'      Volume:'34'      Page:'582'      DOI:'10.1080/02757540.2018.1462345'      Title:'Chemical composition and antifungal activity of Chelidonium majus extracts – antagonistic action of chelerythrine and sanguinarine against Botrytis cinerea'
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