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ScientificNameLabel
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More Details :
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| Names & Synonyms: |
[(1R)-1-(5,8-dihydroxy-1,4-dioxo-2-naphthyl)-4-methyl-pent-3-enyl] 3,4-dimethylpent-3-enoate , 3,4-dimethyl-3-pentenoic acid [(1R)-1-(5,8-dihydroxy-1,4-dioxo-2-naphthalenyl)-4-methylpent-3-enyl] ester , [(1R)-1-(5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)-4-methylpent-3-enyl] 3,4-dimethylpent-3-enoate , [(1R)-1-(5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)-4-methylpent-3-enyl] 3,4-dimethylpent-3-enoate , [(1R)-1-[5,8-bis(oxidanyl)-1,4-bis(oxidanylidene)naphthalen-2-yl]-4-methyl-pent-3-enyl] 3,4-dimethylpent-3-enoate , 3,4-dimethylpent-3-enoic acid [(1R)-1-(5,8-dihydroxy-1,4-diketo-2-naphthyl)-4-methyl-pent-3-enyl] ester
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| Smiles: |
O=C(O[C@@H](C1=CC(=O)c2c(C1=O)c(O)ccc2O)CC=C(C)C)CC(=C(C)C)C
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| InChi : |
InChI=1S/C23H26O6/c1-12(2)6-9-19(29-20(27)10-14(5)13(3)4)15-11-18(26)21-16(24)7-8-17(25)22(21)23(15)28/h6-8,11,19,24-25H,9-10H2,1-5H3/t19-/m1/s1
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| InChi Key : |
InChIKey=OHRCEQTZXISPOL-LJQANCHMSA-N
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| PubChem ID : |
15931504
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| Rotatable bond count : |
7
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Rule of five : |
0
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| Hydrogen bond acceptor count : |
6
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Ionization potential : |
9.136478
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| Hydrogen bond donor count : |
2
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Electric dipole moment : |
2.457
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| XLogP : |
2.758
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VDW volume : |
399.76442
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| Molecular weight : |
398.172939
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HOMO-LUMO gap : |
7.294000
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| Herb list : |
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| Refrences & Litretures: |
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