5281703
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255
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6.029
4.269
4.269
2.5369
6.0174
5.135
5.135
6.935
4.269
6.029
4.269
6.935
7.7991
3.403
3.403
7.7953
8.6671
8.6594
9.5312
9.5273
3.403
7.4708
2.866
7.2571
8.6694
8.657
10.0693
10.063
3.732
2
3.093
2.866
3.713
-0.9259
-1.8913
2.1087
-0.8913
2.1433
0.6087
-0.3913
-0.4121
-0.8913
1.1434
1.1087
0.6296
-0.9154
-0.3913
0.6087
-1.9154
-0.4188
-2.4187
-0.9221
-1.9221
-2.3913
0.9416
0.9187
-2.2233
0.2012
-3.0387
-0.6142
-2.2342
2.4187
-0.5813
-1.8543
-2.7013
-2.9282
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
1
1
6
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0
Compound
Canonicalized
5
2011.04.04
1
Compound Complexity
7
E_COMPLEXITY
3.384
Cactvs
xemistry.com
2011.09.13
426
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.384
Cactvs
xemistry.com
2011.09.13
5
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.384
Cactvs
xemistry.com
2011.09.13
2
Count
Rotatable Bond
5
E_NROTBONDS
3.384
Cactvs
xemistry.com
2011.09.13
2
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.384
Cactvs
xemistry.com
2011.09.13
00000371C0783800000000000000000000000000000000000000306080000000000000814000001A00000800000C048098023206800006008802A05200000208002420000888010688C80D273686351A827963A5E0150BB907CAECBCCE21000108000840004200021000108000000000000000
IUPAC Name
Allowed
1
2.0.2
LexiChem
openeye.com
2011.09.13
5,7-dihydroxy-8-methoxy-2-phenyl-chromen-4-one
IUPAC Name
CAS-like Style
1
2.0.2
LexiChem
openeye.com
2011.09.13
5,7-dihydroxy-8-methoxy-2-phenyl-1-benzopyran-4-one
IUPAC Name
Preferred
1
2.0.2
LexiChem
openeye.com
2011.09.13
5,7-dihydroxy-8-methoxy-2-phenylchromen-4-one
IUPAC Name
Systematic
1
2.0.2
LexiChem
openeye.com
2011.09.13
8-methoxy-5,7-bis(oxidanyl)-2-phenyl-chromen-4-one
IUPAC Name
Traditional
1
2.0.2
LexiChem
openeye.com
2011.09.13
5,7-dihydroxy-8-methoxy-2-phenyl-chromone
InChI
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
InChI=1S/C16H12O5/c1-20-15-12(19)7-10(17)14-11(18)8-13(21-16(14)15)9-5-3-2-4-6-9/h2-8,17,19H,1H3
InChIKey
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
XLTFNNCXVBYBSX-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2011.09.13
3
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
284.068473
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
C16H12O5
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
284.26348
SMILES
Canonical
1
1.7.4
OEChem
openeye.com
2011.09.13
COC1=C(C=C(C2=C1OC(=CC2=O)C3=CC=CC=C3)O)O
SMILES
Isomeric
1
1.7.4
OEChem
openeye.com
2011.09.13
COC1=C(C=C(C2=C1OC(=CC2=O)C3=CC=CC=C3)O)O
Topological
Polar Surface Area
7
E_TPSA
3.384
Cactvs
xemistry.com
2011.09.13
76
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
284.068473
21
0
0
0
0
0
0
0
1
12