AF33457
2174-59-6 | 5-O-Demethylnobiletin
Manufacturer: A2B Chem
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CatalogNumber
AF33457
ChemicalName
5-O-Demethylnobiletin
CasNumber
2174-59-6
MolecularFormula
C20H20O8
MolecularWeight
388.368
MdlNumber
MFCD08458849
Smiles
COc1cc(ccc1OC)c1cc(=O)c2c(o1)c(OC)c(c(c2O)OC)OC
NscNumber
618927
Complexity
579
Covalently-bondedUnitCount
1
HeavyAtomCount
28
HydrogenBondAcceptorCount
8
HydrogenBondDonorCount
1
RotatableBondCount
6
Xlogp3
3.2
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CatalogNumber: AF33457
ChemicalName: 5-O-Demethylnobiletin
CasNumber: 2174-59-6
MolecularFormula: C20H20O8
MolecularWeight: 388.368
MdlNumber: MFCD08458849
Smiles: COc1cc(ccc1OC)c1cc(=O)c2c(o1)c(OC)c(c(c2O)OC)OC
NscNumber: 618927
Complexity: 579
Covalently-bondedUnitCount: 1
HeavyAtomCount: 28
HydrogenBondAcceptorCount: 8
HydrogenBondDonorCount: 1
RotatableBondCount: 6
Xlogp3: 3.2
CatalogNumber:
AF33457
ChemicalName:
5-O-Demethylnobiletin
CasNumber:
2174-59-6
MolecularFormula:
C20H20O8
MolecularWeight:
388.368
MdlNumber:
MFCD08458849
Smiles:
COc1cc(ccc1OC)c1cc(=O)c2c(o1)c(OC)c(c(c2O)OC)OC
NscNumber:
618927
Complexity:
579
Covalently-bondedUnitCount:
1
HeavyAtomCount:
28
HydrogenBondAcceptorCount:
8
HydrogenBondDonorCount:
1
RotatableBondCount:
6
Xlogp3:
3.2
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Smiles: COc1cc(O)c2c(c1CC=C(C)C)oc(c(c2=O)O)c1ccc(cc1)O
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Complexity: __
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Smiles:
COc1cc(O)c2c(c1CC=C(C)C)oc(c(c2=O)O)c1ccc(cc1)O
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Smiles: O=C1NCCc2c1cc1OCOc1c2
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Smiles:
O=C1NCCc2c1cc1OCOc1c2
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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Complexity: __
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HydrogenBondAcceptorCount: __
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RotatableBondCount: __
Xlogp3: __
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ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
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NscNumber:
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Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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