Compound Summary
R,R-THC
Compound Information
R,R-THC
Compound Name: | R,R-THC |
Compound CID: | 446849 |
Synonyms: | R,R-THC (R,R)-THC 138090-06-9 (R,R)-cis-Diethyl tetrahydro-2,8-chrysenediol 221368-54-3 More... |
Iupac Name: | (5R,11R)-5,11-diethyl-5,6,11,12-tetrahydrochrysene-2,8-diol |
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 |
InChIKey: | MASYAWHPJCQLSW-ZIAGYGMSSA-N |
Canonical Smiles: | CCC1CC2=C(C=CC(=C2)O)C3=C1C4=C(CC3CC)C=C(C=C4)O |
Isomeric Smiles: | CC[C@@H]1CC2=C(C=CC(=C2)O)C3=C1C4=C(C[C@H]3CC)C=C(C=C4)O |
Molecular Weight: | 320.4 |
Molecular Formula: | C22H24O2 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
R,R-THC
Molecular Weight: | 320.4 |
Molecular Formula: | C22H24O2 |
Hydrogen Bond Donor Count: | 2 |
Hydrogen Bond Acceptor Count: | 2 |
Rotatable Bond Count: | 2 |
Heavy Atom Count: | 24 |
Complexity: | 452 |
Synonyms
R,R-THC
| R,R-THC | R,R-THC |
|---|---|
R,R-THC |
(R,R)-THC |
138090-06-9 |
(R,R)-cis-Diethyl tetrahydro-2,8-chrysenediol |
221368-54-3 |
(5R,11R)-5,11-diethyl-5,6,11,12-tetrahydrochrysene-2,8-diol |
CHEMBL282489 |
(R,R)-cis-Diethyltetrahydro-2,8-chrysenediol |
(5R,11R)-5,11-DIETHYL-5,6,11,12-TETRAHYDRO-2,8-CHRYSENEDIOL |
(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 |
5,11-cis-diethyl-5,6,11,12-tetrahydrochrysene-2,8-diol |
UNII-JDD6B8E8CW |
Lopac-D-8690 |
JDD6B8E8CW |
Lopac0_000463 |
MLS002153151 |
BIDD:ER0043 |
GTPL2822 |
DTXSID6040749 |
SCHEMBL13352540 |
CHEBI:42371 |
DTXSID501017647 |
HMS2232C18 |
HMS3261M08 |
HMS3268D03 |
ZINC3940885 |
Tox21_500463 |
BDBM50436200 |
AKOS024456895 |
CCG-204555 |
LP00463 |
SDCCGSBI-0050448.P002 |
NCGC00015377-01 |
NCGC00093877-01 |
NCGC00093877-02 |
NCGC00093877-03 |
NCGC00093877-04 |
NCGC00093877-05 |
NCGC00261148-01 |
SMR001230647 |
B6909 |
EU-0100463 |
D 8690 |
SR-01000075839 |
J-007095 |
SR-01000075839-1 |
BRD-K66049797-001-02-6 |
Q27088625 |
cis-5,11-Diethyl-5,6,11,12-tetrahydro-2,8-chrysenediol |
UNII-89HTC2NWF3 component MASYAWHPJCQLSW-ZIAGYGMSSA-N |
(5R, 11R)-5,11-Diethyl-5,6,11,12-tetrahydro-2,8-chrysenediol |
2,8-Chrysenediol, 5,11-diethyl-5,6,11,12-tetrahydro-, cis- |
2,8-Chrysenediol, 5,11-diethyl-5,6,11,12-tetrahydro-, (5R,11R)-rel- |
5,11-cis-diethyl-5,6,11, 12-tetrahydrochrysene-2,8-diol (THC, rac-2b) |
Rel-(5R,11R)-5,11-diethyl-5,6,11,12-tetrahydro-2,8-chrysenediol |
Experimental Data
R,R-THC
| Species | Dose | Unit | Control(Avg days) | Treatment(Avg days) | Avg/Med Lifespan Change(%) | Control(Max days) | Treatment(Max days) | Max Lifespan Change(%) | Significant | Strain | Gender | PubMed | Avg/Med Lifespan Change tab |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Caenorhabditis elegans | 88.000000000000000 | umol/L | 7.000000000000000 | S | N2 | 24134630 | Active | ||||||
| Caenorhabditis elegans | 33.000000000000000 | umol/L | 7.000000000000000 | S | N2 | 33683565 | Active | ||||||
| Caenorhabditis elegans | 33.000000000000000 | umol/L | 13.000000000000000 | NS | N2 | 24134630 | Inactive |
Experimental Data Visualization
R,R-THC
Statistics Data
R,R-THC
| Species | Avg/Med Lifespan Change(%) | Max Lifespan Change(%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | 13.000000000000000 | 2 | 3 |
Statistics Data Visualization
R,R-THC
