|
|
|
|
ScientificNameLabel
|
|
|
|
|
|
More Details :
|
|
|
| Names & Synonyms: |
(1E,4E)-1,5-bis(4-hydroxy-3-methoxy-phenyl)penta-1,4-dien-3-one , (1E,4E)-1,5-bis(4-hydroxy-3-methoxyphenyl)-3-penta-1,4-dienone , (1E,4E)-1,5-bis(4-hydroxy-3-methoxyphenyl)penta-1,4-dien-3-one , (1E,4E)-1,5-bis(3-methoxy-4-oxidanyl-phenyl)penta-1,4-dien-3-one
|
| Smiles: |
COc1cc(/C=C/C(=O)/C=C/c2ccc(c(c2)OC)O)ccc1O
|
| InChi : |
InChI=1S/C19H18O5/c1-23-18-11-13(5-9-16(18)21)3-7-15(20)8-4-14-6-10-17(22)19(12-14)24-2/h3-12,21-22H,1-2H3/b7-3+,8-4+
|
| InChi Key : |
InChIKey=ISIMGBQRFXXNON-FCXRPNKRSA-N
|
| PubChem ID : |
6474893
|
|
|
|
| Rotatable bond count : |
6
|
Rule of five : |
0
|
| Hydrogen bond acceptor count : |
5
|
Ionization potential : |
8.746200
|
| Hydrogen bond donor count : |
2
|
Electric dipole moment : |
3.110
|
| XLogP : |
1.862
|
VDW volume : |
310.890254
|
| Molecular weight : |
326.115424
|
HOMO-LUMO gap : |
7.867000
|
|
|
|
| Herb list : |
|
| Refrences & Litretures: |
|
|
|
|
|
|
|