General Information of the Compound
| Compound ID |
CP0045890
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| Compound Name |
(5R,11R)-5,11-diethyl-5,6,11,12-tetrahydrochrysene-2,8-diol
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| Synonyms |
(5R,11R)-5,11-diethyl-5,6,11,12-tetrahydrochrysene-2,8-diol
(R,R)-5,11-CIS-DIETHYL-5,6,11,12-TETRAHYDROCHRYSENE-2,8-DIOL
(R,R)-5,11-DIETHYL-5,6,11,12-TETRAHYDRO-2,8-CHRYSENEDIOL
(R,R)-THC
(R,R)-cis-Diethyl tetrahydro-2,8-chrysenediol
(R,R)-cis-Diethyltetrahydro-2,8-chrysenediol
138090-06-9
221368-54-3
AC1L9K5Y
BIDD:ER0043
CHEMBL282489
CTK4E8744
DTXSID6040749
GTPL2822
HMS2232C18
HMS3261M08
HMS3268D03
Lopac-D-8690
Lopac0_000463
MLS002153151
MolPort-003-941-174
R,R-THC
SCHEMBL13352540
Tox21_500463
ZINC3940885
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| Structure |
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| Formula |
C22H24O2
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| Molecular Weight |
320.432
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| Canonical SMILES |
CC[C@@H]1Cc2cc(O)ccc2C2=C1c1ccc(O)cc1C[C@H]2CC
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| InChI |
InChI=1S/C22H24O2/c1-3-13-9-15-11-17(23)6-8-20(15)22-14(4-2)10-16-12-18(24)5-7-19(16)21(13)22/h5-8,11-14,23-24H,3-4,9-10H2,1-2H3/t13-,14-/m1/s1
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| InChIKey |
MASYAWHPJCQLSW-ZIAGYGMSSA-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: PT06109, Geminin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT01552, Nuclear receptor subfamily 1 group I member 2
Protein ID: PT01065, Serine/threonine-protein kinase mTOR
Clinical Information about the Compound