(2E)-3-(4-Hydroxy-3-((2Z)-4-hydroxy-3-methyl-2-buten-1-yl)-5-(3-methyl-2-buten-1-yl)phenyl)-2-propenoic acid
Basic information
- CAS
85819-51-8- Standard SMILES
CC(C)=CCc1cc(/C=C/C(=O)O)cc(C/C=C(/C)CO)c1O- InChIKey
HEFPIIHDRLNTDN-ZCVOOGJLSA-N- Molecular formula
- C19H24O4
- Average molar mass
- 316.4 g/mol
- Monoisotopic mass
- 316.16745924
Overview
Capillartemisin B is a hydroxycinnamic acid.
Names & identifiers
- Preferred name
- (2E)-3-(4-Hydroxy-3-((2Z)-4-hydroxy-3-methyl-2-buten-1-yl)-5-(3-methyl-2-buten-1-yl)phenyl)-2-propenoic acid
- IUPAC
- (E)-3-[4-hydroxy-3-[(Z)-4-hydroxy-3-methylbut-2-enyl]-5-(3-methylbut-2-enyl)phenyl]prop-2-enoic acid
- English name
- (E)-3-[4-hydroxy-3-[(Z)-4-hydroxy-3-methyl-but-2-enyl]-5-(3-methylbut- 2-enyl)phenyl]prop-2-enoic acid
- Molecular formula
- C19H24O4
- Molecular weight
- 316.39
Names & synonyms
Capillartemisin B85819-51-8DTXSID201109073(E)-3-[4-hydroxy-3-[(Z)-4-hydroxy-3-methylbut-2-enyl]-5-(3-methylbut-2-enyl)phenyl]prop-2-enoic acid2-Propenoic acid, 3-(4-hydroxy-3-(4-hydroxy-3-methyl-2-butenyl)-5-(3-methyl-2-butenyl)phenyl)-, (E,Z)-(2E)-3-(4-Hydroxy-3-((2Z)-4-hydroxy-3-methyl-2-buten-1-yl)-5-(3-methyl-2-buten-1-yl)phenyl)-2-propenoic acid(2E)-3-[4-Hydroxy-3-[(2Z)-4-hydroxy-3-methyl-2-buten-1-yl]-5-(3-methyl-2-buten-1-yl)phenyl]-2-propenoic acid(E)-3-(4-hydroxy-3-((Z)-4-hydroxy-3-methylbut-2-enyl)-5-(3-methylbut-2-enyl)phenyl)prop-2-enoic acidRefChem:905797DTXCID801540712CHEMBL4849415SCHEMBL23742687
Show more names
(E)-3-[4-hydroxy-3-[(Z)-4-hydroxy-3-methyl-but-2-enyl]-5-(3-methylbut- 2-enyl)phenyl]prop-2-enoic acid2-Propenoic acid, 3-[4-hydroxy-3-[(2Z)-4-hydroxy-3-methyl-2-buten-1-yl]-5-(3-methyl-2-buten-1-yl)phenyl]-, (2E)-
SCHEMBL30378377CHEBI:81343C17795Q27155280
Database identifiers
- CAS
85819-51-8- PubChem CID
- 6439716
- DTXSID
DTXSID201109073- ChEMBL
CHEMBL4849415- ChEBI
CHEBI:81343- Nikkaji
- J397.846J
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 472
Chemistry & industry
Additional notes
DefinitionChEBI: Capillartemisin B is a hydroxycinnamic acid.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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