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ScientificNameLabel
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More Details :
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| Names & Synonyms: |
(2R,3R)-3,7-dihydroxy-2-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-8-(3-methylbut-2-enyl)chroman-4-one , (2R,3R)-3,7-dihydroxy-2-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-8-(3-methylbut-2-enyl)-3,4-dihydro-2H-1-benzopyran-4-one , (2R,3R)-3,7-dihydroxy-2-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one , (2R,3R)-8-(3-methylbut-2-enyl)-2-[3-(3-methylbut-2-enyl)-4-oxidanyl-phenyl]-3,7-bis(oxidanyl)-2,3-dihydrochromen-4-one
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| Smiles: |
CC(=CCc1cc(ccc1O)[C@H]1Oc2c(C(=O)[C@@H]1O)ccc(c2CC=C(C)C)O)C
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| InChi : |
InChI=1S/C25H28O5/c1-14(2)5-7-16-13-17(8-11-20(16)26)24-23(29)22(28)19-10-12-21(27)18(25(19)30-24)9-6-15(3)4/h5-6,8,10-13,23-24,26-27,29H,7,9H2,1-4H3/t23-,24+/m0/s1
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| InChi Key : |
InChIKey=LAQLCZKPJGMFRM-BJKOFHAPSA-N
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| PubChem ID : |
480854
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| Rotatable bond count : |
5
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Rule of five : |
0
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| Hydrogen bond acceptor count : |
5
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Ionization potential : |
9.111837
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| Hydrogen bond donor count : |
3
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Electric dipole moment : |
4.350
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| XLogP : |
3.782
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VDW volume : |
402.309703
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| Molecular weight : |
408.193674
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HOMO-LUMO gap : |
8.511000
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| Herb list : |
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| Refrences & Litretures: |
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