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ScientificNameLabel
Alpha-homochelidonine
PHCD compound ID : 5173
Chemical Names :
Alpha-homochelidonine
Molecular Formula : C22H23N1O5
Molecular Weight : 381.157623
More Details :
Names & Synonyms: (4bR,5S,11bS)-1,2-dimethoxy-12-methyl-13-methylene-4b,5,6,11b-tetrahydro-[1,3]benzodioxolo[5,6-c]phenanthridin-5-ol , (4bR,5S,11bS)-1,2-dimethoxy-12-methyl-13-methylidene-4b,5,6,11b-tetrahydro-[1,3]benzodioxolo[5,6-c]phenanthridin-5-ol , (4bR,5S,11bS)-1,2-dimethoxy-12-methyl-13-methylidene-4b,5,6,11b-tetrahydro-[1,3]benzodioxolo[5,6-c]phenanthridin-5-ol
Smiles: COc1c(OC)ccc2c1C(=C)N(C)[C@H]1[C@@H]2[C@@H](O)Cc2c1cc1OCOc1c2
InChi : InChI=1S/C22H23NO5/c1-11-19-13(5-6-16(25-3)22(19)26-4)20-15(24)7-12-8-17-18(28-10-27-17)9-14(12)21(20)23(11)2/h5-6,8-9,15,20-21,24H,1,7,10H2,2-4H3/t15-,20-,21+/m0/s1
InChi Key : InChIKey=WLOSIJXUIVRNQV-ONGXBYRLSA-N
PubChem ID : 101670978
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 6 Ionization potential : 8.310742
Hydrogen bond donor count : 1 Electric dipole moment : 2.870
XLogP : 2.152 VDW volume : 341.97851
Molecular weight : 381.157623 HOMO-LUMO gap : 8.292000
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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