Basic information
- CAS
62023-90-9- Standard SMILES
C=Cc1c(C)c(O)cc2c1-c1ccc(O)c(C)c1CC2- InChIKey
XNVMKPYDOHZJLR-UHFFFAOYSA-N- Molecular formula
- C18H18O2
- Average molar mass
- 266.3 g/mol
- Monoisotopic mass
- 266.13067982
Overview
juncusol has been reported in Juncus effusus, Juncus acutus, and Juncus roemerianus with data available.
Names & identifiers
- Preferred name
- Juncusol
- IUPAC
- 5-ethenyl-1,6-dimethyl-9,10-dihydrophenanthrene-2,7-diol
- English name
- juncusol
- Molecular formula
- C18H18O2
- Molecular weight
- 266.33
Names & synonyms
Juncusol62023-90-9NSC-2209686T481HU7OIDTXSID702110802,7-Phenanthrenediol, 5-ethenyl-9,10-dihydro-1,6-dimethyl-RefChem:924007DTXCID701335711,6-dimethyl-5-vinyl-9,10-dihydrophenanthrene-2,7-diol5-ethenyl-1,6-dimethyl-9,10-dihydrophenanthrene-2,7-diolNSC220968CHEMBL38650
Show more names
2,7-dihydroxy-1,6-dimethyl-5-vinyl-9,10-dihydrophenanthreneNSC 220968UNII-6T481HU7OIorb1684491SCHEMBL10477036HY-N5126MCA02390BDBM50537502
Database identifiers
- CAS
62023-90-9- PubChem CID
- 72740
- DTXSID
DTXSID70211080- ChEMBL
CHEMBL38650- UNII
- 6T481HU7OI
- Nikkaji
- J18.285K
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 366
Experimental & physicochemical properties
SpringerMaterials PropertiesAngular frequency
Physicochemical properties
- Boiling point
- 503.8 · 503.8±50.0 °C(Predicted)
- Density
- 1.202 · 1.202±0.06 g/cm3(Predicted)
- pka
- 10.06 · 10.06±0.20(Predicted)
- LogP
- 5.12 · 5.120 (est)
- FDA UNII
- 6 T481HU7OI · 6T481HU7OI
Chemistry & industry
Applications
UsesJuncusol, a phenanthrenoid found in Juncus setchuenensis, possesses anxiolytic effect. Juncusol is associated with metabolic changes in cortical serotonin/dopamine levels in Mice[1].
Suppliers41 total
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
南通飞宇生物科技有限公司0513-68819626 15152877458 · [email protected]
銘瑞集團有限公司17318633522 · [email protected]
成都乐美天医药科技有限公司17308096051 17308096051 · [email protected]
成都埃法生物科技有限公司028-028-85142057 19983342022 · [email protected]
成都彼样生物科技有限公司18108052721 · [email protected]
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
成都普睿法药物研发有限公司82633860 18982077548 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
上海晶抗生物工程有限公司021-54721350 13524668266 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
成都普思生物科技股份有限公司028-85370565-229 18080489829 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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