AB56358
6754-58-1 | Xanthohumol
Manufacturer: A2B Chem
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CatalogNumber
AB56358
ChemicalName
Xanthohumol
CasNumber
6754-58-1
MolecularFormula
C21H22O5
MolecularWeight
354.3964
MdlNumber
MFCD00210576
Smiles
COc1cc(O)c(c(c1C(=O)/C=C/c1ccc(cc1)O)O)CC=C(C)C
Complexity
515
Covalently-bondedUnitCount
1
DefinedBondStereocenterCount
1
HeavyAtomCount
26
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
3
RotatableBondCount
6
Xlogp3
5.1
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CatalogNumber: AB56358
ChemicalName: Xanthohumol
CasNumber: 6754-58-1
MolecularFormula: C21H22O5
MolecularWeight: 354.3964
MdlNumber: MFCD00210576
Smiles: COc1cc(O)c(c(c1C(=O)/C=C/c1ccc(cc1)O)O)CC=C(C)C
Complexity: 515
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: 1
HeavyAtomCount: 26
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 3
RotatableBondCount: 6
Xlogp3: 5.1
CatalogNumber:
AB56358
ChemicalName:
Xanthohumol
CasNumber:
6754-58-1
MolecularFormula:
C21H22O5
MolecularWeight:
354.3964
MdlNumber:
MFCD00210576
Smiles:
COc1cc(O)c(c(c1C(=O)/C=C/c1ccc(cc1)O)O)CC=C(C)C
Complexity:
515
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
1
HeavyAtomCount:
26
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
3
RotatableBondCount:
6
Xlogp3:
5.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1cc(OC)ccc1NC(=S)N
Complexity: 201
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 1.3
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1cc(OC)ccc1NC(=S)N
Complexity:
201
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
1.3
CatalogNumber: AB56360
ChemicalName: 1-(2,4-Dimethylphenyl)-3,5-diphenyl-1H-pyrazole
CasNumber: 618442-06-1
MolecularFormula: C23H20N2
MolecularWeight: 324.4183
MdlNumber: MFCD05155059
Smiles: Cc1ccc(c(c1)C)n1nc(cc1c1ccccc1)c1ccccc1
Complexity: 410
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: __
HeavyAtomCount: 25
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: __
RotatableBondCount: 3
Xlogp3: 5.9
CatalogNumber:
AB56360
ChemicalName:
1-(2,4-Dimethylphenyl)-3,5-diphenyl-1H-pyrazole
CasNumber:
618442-06-1
MolecularFormula:
C23H20N2
MolecularWeight:
324.4183
MdlNumber:
MFCD05155059
Smiles:
Cc1ccc(c(c1)C)n1nc(cc1c1ccccc1)c1ccccc1
Complexity:
410
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
__
HeavyAtomCount:
25
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
__
RotatableBondCount:
3
Xlogp3:
5.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC/C=N/Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC/C=N/Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__