Basic information
- CAS
2680-81-1- Standard SMILES
CC=Cc1cc(OC)c2c(c1)C(C)C(c1ccc(O)c(OC)c1)O2- InChIKey
ITDOFWOJEDZPCF-UHFFFAOYSA-N- Molecular formula
- C20H22O4
- Average molar mass
- 326.4 g/mol
- Monoisotopic mass
- 326.15180918
Overview
Licarin A has been reported in Aristolochia taliscana, Aristolochia maxima, and Machilus thunbergii with data available.
Names & identifiers
- Preferred name
- (+/-)-trans-Dehydrodiisoeugenol
- IUPAC
- 2-methoxy-4-(7-methoxy-3-methyl-5-prop-1-enyl-2,3-dihydro-1-benzofuran-2-yl)phenol
- English name
- 4-[(2R,3R)-2,3-Dihydro-7-methoxy-3-methyl-5-[(E)-1-propenyl]benzofuran-2-yl]-2-methoxyphenol
- Molecular formula
- C20H22O4
- Molecular weight
- 326.39
Names & synonyms
23518-30-1(+/-)-trans-Dehydrodiisoeugenol(+/-)-Licarin AMLS002638502Ricarin Aorb1222436CHEMBL1732407SCHEMBL11565346SCHEMBL31054357DTXSID601350119HMS3095C12YAA51830
Show more names
DehydrodiisoeugenolehydrodiisoeugenolEugenol Impurity 304'-DicyanobenzhydrolDehydrodiisoeugenol-RMDehydrodisisobutyphenolDehydrodiisoeugenol (Standard)Dehydrodiisoeugenol, 10 mM in DMSODehydrodiisoeugenol, 98%, from Myristica fragrans Houtt.4-(2,3-Dihydro-7-methoxy-3-methyl-5-propenyl-2-benzofuranyl)-2-methoxyphenol
s90982-Methoxy-4-{(2S,3S)-7-methoxy-3-methyl-5-[(1E)-1-propen-1-yl]-2, 3-dihydro-1-benzofuran-2-yl}phenolSMR0015479762-methoxy-4-(7-methoxy-3-methyl-5-[prop-1-enyl]-2,3-dihydrobenzofuran-2-yl)phenol
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 47.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 437
Physicochemical properties
- Melting point
- 133 °C · 133 °C
- Boiling point
- 452 · 452.0±45.0 °C(Predicted)
- Density
- 1.16 · 1.160±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- solubility
- 250 mg/mL · DMSO: ≥ 250 mg/mL (765.95 mM)
- form
- powder
- pka
- 9.8 · 9.80±0.35(Predicted)
- color
- White
- Major Application
- food and beverages
- InChI
- 1S/C20H22O4/c1-5-6-13-9-15-12(2)19(24-20(15)18(10-13)23-4)14-7-8-16(21)17(11-14)22-3/h5-12,19,21H,1-4H3/b6-5-
- InChIKey
- ITDOFWOJEDZPCF-WAYWQWQTSA-N
- SMILES
- O1C(C(c3c1c(cc(c3)\C=C/C)OC)C)c2cc(c(cc2)O)OC
- LogP
- 4.188 · 4.188 (est)
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 7 · GHS07
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- WGK 3
- hs_code
- 29329990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 24/25
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H335
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2Skin Sens. 1
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
UsesDehydrodiisoeugenol is a peroxisome proliferator-activated receptor (PPARS) agonist. An antidiabetic drug. It is an anxiogenic agent in cerebral nucleus of rat.
Suppliers100 total
北京华美互利生物化工010-56205725 · [email protected]
成都普瑞法科技开发有限公司+86-028-82633397 18982077548 · [email protected]
南通飞宇生物科技有限公司0513-68819626 15152877458 · [email protected]
成都曼思特生物科技有限公司18010516991 · [email protected]
南京普怡生物科技有限公司13814510036 · [email protected]
成都埃法生物科技有限公司028-028-85142057 19983342022 · [email protected]
江苏永健医药科技有限公司17701422015 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
成都健腾生物技术有限公司028-85159085 18080455027 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
上海如吉生物科技发展有限公司+86-21-65211385-8001 36031160 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Related reactions
4 records
Compound notes
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