General Information of the Compound
| Compound ID |
CP0472463
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| Compound Name |
(4aS,11cS)-9,10-Dimethoxy-4,4,11c-trimethyl-1,2,3,4,4a,5,6,11c-octahydro-benzo[b]naphtho[1,2-d]furan-8-carbaldehyde
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| Structure |
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| Formula |
C22H28O4
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| Molecular Weight |
356.462
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| Canonical SMILES |
COc1cc2c3c(CC[C@H]4C(C)(C)CCC[C@]34C)oc2c(C=O)c1OC
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| InChI |
InChI=1S/C22H28O4/c1-21(2)9-6-10-22(3)17(21)8-7-15-18(22)13-11-16(24-4)20(25-5)14(12-23)19(13)26-15/h11-12,17H,6-10H2,1-5H3/t17-,22-/m0/s1
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| InChIKey |
LTJDXRUTQIEAAJ-JTSKRJEESA-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: PT01045, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Protein ID: PT01029, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform