General Information of the Compound
| Compound ID |
CP0429602
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| Compound Name |
(1S,4bS,5R,6aS,10aS,10bS,12aS)-1-(furan-3-yl)-5-hydroxy-4b,7,7,10a,12a-pentamethyl-5,6,6a,9,10,10b,11,12-octahydro-1H-naphtho[2,1-f]isochromene-3,8-dione
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| Structure |
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| Formula |
C26H34O5
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| Molecular Weight |
426.553
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| Canonical SMILES |
CC1(C)[C@H]2C[C@@H](O)[C@@]3(C)[C@@H](CC[C@]4(C)[C@H](OC(=O)C=C34)c3ccoc3)[C@]2(C)CCC1=O
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| InChI |
InChI=1S/C26H34O5/c1-23(2)17-12-20(28)26(5)16(24(17,3)10-7-19(23)27)6-9-25(4)18(26)13-21(29)31-22(25)15-8-11-30-14-15/h8,11,13-14,16-17,20,22,28H,6-7,9-10,12H2,1-5H3/t16-,17+,20+,22+,24-,25-,26-/m0/s1
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| InChIKey |
BQDRKSSNLHIYIM-FGYUCKKHSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT03566, Solute carrier organic anion transporter family member 1B1
Protein ID: PT03657, Solute carrier organic anion transporter family member 1B3