Cannabistilbene I
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Basic information
- CAS
91925-76-7- Standard SMILES
COc1cc(O)cc(CCc2ccc(O)c(CC=C(C)C)c2)c1- InChIKey
PPIQDICARGCSMB-UHFFFAOYSA-N- Molecular formula
- C20H24O3
- Average molar mass
- 312.4 g/mol
- Monoisotopic mass
- 312.17254462
Overview
Cannabistilbene I has been reported in Cannabis sativa with data available.
Names & identifiers
- Preferred name
- Cannabistilbene I
- IUPAC
- 4-[2-(3-hydroxy-5-methoxyphenyl)ethyl]-2-(3-methylbut-2-enyl)phenol
- English name
- 4-(2-(3-Hydroxy-5-methoxyphenyl)ethyl)-2-(3-methyl-2-butenyl)phenol
- Molecular weight
- 0
Names & synonyms
Cannabistilbene I91925-76-7DMMBDC37HLY2WCW3,4'-Dihydroxy-5-methoxy-3'-(3-methylbut-2-enyl)dihydrostilbeneDTXSID102387914-[2-(3-hydroxy-5-methoxyphenyl)ethyl]-2-(3-methylbut-2-enyl)phenolPhenol, 4-(2-(3-hydroxy-5-methoxyphenyl)ethyl)-2-(3-methyl-2-butenyl)-4-(2-(3-hydroxy-5-methoxyphenyl)ethyl)-2-(3-methylbut-2-enyl)phenolRefChem:31317DTXCID60161282UNII-C37HLY2WCW
Show more names
4-(2-(3-Hydroxy-5-methoxyphenyl)ethyl)-2-(3-methyl-2-butenyl)phenolCannabistilbene IDiscontinuedSCHEMBL29861974RDA925764-(2-(3-HYDROXY-5-METHOXYPHENYL)ETHYL)-2-(3-METHYL-2-BUTEN-1-YL)PHENOL4-[2-(3-HYDROXY-5-METHOXYPHENYL)ETHYL]-2-(3-METHYLBUT-2-EN-1-YL)PHENOLPHENOL, 4-(2-(3-HYDROXY-5-METHOXYPHENYL)ETHYL)-2-(3-METHYL-2-BUTEN-1-YL)-
Database identifiers
- CAS
91925-76-7- PubChem CID
- 146349
- DTXSID
DTXSID10238791- UNII
- C37HLY2WCW
Properties
Computed structural propertiesFilling in
- XLogP
- 5.3
- Topological polar surface area
- 49.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 375
Physicochemical properties
- FDA UNII
- 37 HLY2WCW · C37HLY2WCW
Chemistry & industry
Applications
UsesCannabistilbene I is a dihydrostilbene isolated from Cannabis sativa.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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