Isomyristicin
Basic information
- CAS
18312-21-5- Standard SMILES
C/C=C/c1cc(OC)c2c(c1)OCO2- InChIKey
DHUZAAUGHUHIDS-ONEGZZNKSA-N- Molecular formula
- C11H12O3
- Average molar mass
- 192.21 g/mol
- Monoisotopic mass
- 192.07864424
Overview
Isomyristicin is a member of benzodioxoles.
Names & identifiers
- Preferred name
- Isomyristicin
- IUPAC
- 4-methoxy-6-[(E)-prop-1-enyl]-1,3-benzodioxole
- English name
- TRANS-ISOMYRISTICIN
- Molecular formula
- C11H12O3
- Molecular weight
- 192.21
Names & synonyms
Isomyristicin18312-21-54-methoxy-6-[(E)-prop-1-enyl]-1,3-benzodioxoleDTXSID901317803(E)-4-Methoxy-6-(propen-1-yl)-1,3-benzodioxole4-methoxy-6-[(1E)-prop-1-en-1-yl]-2H-1,3-benzodioxole4-methoxy-6-((E)-prop-1-enyl)-1,3-benzodioxole4-methoxy-6-((1E)-prop-1-en-1-yl)-2H-1,3-benzodioxoleRefChem:1087588DTXCID001747605242-198-3Trans-isomyristicin
Show more names
4-Methoxy-6-[(E)-1-propenyl]-1,3-benzodioxole1-METHOXY-5-PROPENYL-2,3-(METHYLENEDIOXY)BENZENE1,3-Benzodioxole, 4-methoxy-6-(1E)-1-propen-1-yl-4-METHOXY-6-[(1E)-PROP-1-EN-1-YL]-1,3-BENZODIOXOLE
(E)-Isomyristicin1,3-Benzodioxole, 4-methoxy-6-(1-propen-1-yl)-487-62-7(E)-4-methoxy-6-(prop-1-en-1-yl)benzo[d][1,3]dioxole6-((1E)prop-1-enyl)-4-methoxy-2H-benzo[d]1,3-dioxoleneEINECS 242-198-3orb1985942CHEMBL1642213
Database identifiers
- CAS
18312-21-5、487-62-7- PubChem CID
- 6436484
- DTXSID
DTXSID901317803- ChEMBL
CHEMBL1642213- ChEBI
CHEBI:173923- UNII
- 37QUX538X4
- EC Number
- 242-198-3
- Nikkaji
- J15.299D、J2.372.231C
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 27.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 215
Experimental & physicochemical properties
Melting Point44 - 45 °C
Physical DescriptionSolid
Physicochemical properties
- Melting point
- 38 · 38-40°C
- Boiling point
- 289.3 · 289.3±9.0 °C(Predicted)
- Density
- 1.16 · 1.160±0.06 g/cm3(Predicted)
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- color
- White to Off-White
- Stability
- Light Sensitive
- LogP
- 3.542 · 3.542 (est)
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Additional notes
DefinitionChEBI: Isomyristicin is a member of benzodioxoles.
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