General Information of the Compound
| Compound ID |
CP0475450
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| Compound Name |
(2R,3S,4R,5R,6S)-2-Hydroxymethyl-6-(16-oxa-tricyclo[15.2.2.0*3,8*]henicosa-1(20),3(8),4,6,17(21),18-hexaen-5-yl)-tetrahydro-pyran-3,4,5-triol
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| Structure |
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| Formula |
C26H34O6
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| Molecular Weight |
442.552
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| Canonical SMILES |
OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc2CCCCCCCOc3ccc(Cc2c1)cc3
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| InChI |
InChI=1S/C26H34O6/c27-16-22-23(28)24(29)25(30)26(32-22)19-10-9-18-6-4-2-1-3-5-13-31-21-11-7-17(8-12-21)14-20(18)15-19/h7-12,15,22-30H,1-6,13-14,16H2/t22-,23-,24+,25-,26+/m1/s1
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| InChIKey |
YKHRSVIIDZBCNT-RTJMFUJLSA-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