(10R)-10-(1,8-dihydroxy-6-methyl-9-oxo-10H-anthracen-2-yl)-1,8,10-trihydroxy-3-methylanthracen-9-one

C30H22O7 — CID 163004894

IUPAC(10R)-10-(1,8-dihydroxy-6-methyl-9-oxo-10H-anthracen-2-yl)-1,8,10-trihydroxy-3-methylanthracen-9-one
SMILESCc1cc(O)c2c(c1)Cc1ccc([C@@]3(O)c4cccc(O)c4C(=O)c4c(O)cc(C)cc43)c(O)c1C2=O
InChIInChI=1S/C30H22O7/c1-13-8-16-12-15-6-7-18(27(34)24(15)28(35)23(16)21(32)10-13)30(37)17-4-3-5-20(31)25(17)29(36)26-19(30)9-14(2)11-22(26)33/h3-11,31-34,37H,12H2,1-2H3/t30-/m0/s1
InChIKeyFQSPXURLGCEPEK-PMERELPUSA-N
MW494.50 g/mol
LogP4.09
Rot. Bonds1

About (10R)-10-(1,8-dihydroxy-6-methyl-9-oxo-10H-anthracen-2-yl)-1,8,10-trihydroxy-3-methylanthracen-9-one

(10R)-10-(1,8-dihydroxy-6-methyl-9-oxo-10H-anthracen-2-yl)-1,8,10-trihydroxy-3-methylanthracen-9-one (PubChem CID 163004894) has the molecular formula C30H22O7 and a molecular weight of 494.50 g/mol. Its IUPAC name is (10R)-10-(1,8-dihydroxy-6-methyl-9-oxo-10H-anthracen-2-yl)-1,8,10-trihydroxy-3-methylanthracen-9-one.

Molecular Properties

Compound Name(10R)-10-(1,8-dihydroxy-6-methyl-9-oxo-10H-anthracen-2-yl)-1,8,10-trihydroxy-3-methylanthracen-9-one
PubChem CID163004894
Molecular FormulaC30H22O7
Molecular Weight494.50 g/mol
Exact Mass494.14
IUPAC Name(10R)-10-(1,8-dihydroxy-6-methyl-9-oxo-10H-anthracen-2-yl)-1,8,10-trihydroxy-3-methylanthracen-9-one
SMILESCc1cc(O)c2c(c1)Cc1ccc([C@@]3(O)c4cccc(O)c4C(=O)c4c(O)cc(C)cc43)c(O)c1C2=O
InChIInChI=1S/C30H22O7/c1-13-8-16-12-15-6-7-18(27(34)24(15)28(35)23(16)21(32)10-13)30(37)17-4-3-5-20(31)25(17)29(36)26-19(30)9-14(2)11-22(26)33/h3-11,31-34,37H,12H2,1-2H3/t30-/m0/s1
InChIKeyFQSPXURLGCEPEK-PMERELPUSA-N
XLogP4.09
TPSA135.29 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.50
LogP ≤ 54.09
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Related Compounds

8-[3-[2-(2,6-dihydroxybenzoyl)-3,6-dihydroxyphenyl]-2,4-dihydroxyphenyl]-2,8-dihydroxy-4-methylbicyclo[4.2.0]octa-1(6),2,4-trien-7-one
CID 139253884
1,8-dihydroxy-3-methoxy-6-methyl-2-(3-methylbut-1-enyl)-10H-anthracen-9-one
CID 155490509
(10S)-3,8,10-trihydroxy-1,10-dimethyl-9-oxoanthracene-2-carboxylic acid
CID 95790126
4,5-dihydroxy-2-methyl-1-[(10R)-1,8,10-trihydroxy-6-methyl-9-oxo-10-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]anthracen-2-yl]anthracene-9,10-dione
CID 162817163
2-(2,3-dihydroxy-5-methylphenyl)-2-hydroxyindene-1,3-dione
CID 3054428
1,8-dihydroxy-3-methoxy-6-methyl-2-[(2R)-2,5,10-trihydroxy-7-methoxy-2-methyl-4-oxo-1,3-dihydroanthracen-9-yl]-10H-anthracen-9-one
CID 162990870
1,8-dihydroxy-2,7-di(propan-2-yl)-10H-anthracen-9-one
CID 20542345
1,2,5,8-tetrahydroxy-10H-anthracen-9-one
CID 169084533
9-hydroxy-7-methyl-1,2,3,5-tetrahydrocyclopenta[a]naphthalen-4-one
CID 159988514
4-[(1,8-dihydroxy-9-oxo-10H-anthracen-2-yl)methyl]benzoic acid
CID 10428583
methyl 4-[(1,8-dihydroxy-9-oxo-10H-anthracen-2-yl)methyl]benzoate
CID 10044926
2-(2,6-dimethylphenyl)-5-methylbenzene-1,3-diol
CID 101299108

Frequently Asked Questions

What is the IUPAC name of (10R)-10-(1,8-dihydroxy-6-methyl-9-oxo-10H-anthracen-2-yl)-1,8,10-trihydroxy-3-methylanthracen-9-one?
The IUPAC name of (10R)-10-(1,8-dihydroxy-6-methyl-9-oxo-10H-anthracen-2-yl)-1,8,10-trihydroxy-3-methylanthracen-9-one (CID 163004894) is (10R)-10-(1,8-dihydroxy-6-methyl-9-oxo-10H-anthracen-2-yl)-1,8,10-trihydroxy-3-methylanthracen-9-one.
What is the SMILES notation for (10R)-10-(1,8-dihydroxy-6-methyl-9-oxo-10H-anthracen-2-yl)-1,8,10-trihydroxy-3-methylanthracen-9-one?
The canonical SMILES for (10R)-10-(1,8-dihydroxy-6-methyl-9-oxo-10H-anthracen-2-yl)-1,8,10-trihydroxy-3-methylanthracen-9-one is Cc1cc(O)c2c(c1)Cc1ccc([C@@]3(O)c4cccc(O)c4C(=O)c4c(O)cc(C)cc43)c(O)c1C2=O.
What is the InChIKey of (10R)-10-(1,8-dihydroxy-6-methyl-9-oxo-10H-anthracen-2-yl)-1,8,10-trihydroxy-3-methylanthracen-9-one?
The InChIKey is FQSPXURLGCEPEK-PMERELPUSA-N. The full InChI is InChI=1S/C30H22O7/c1-13-8-16-12-15-6-7-18(27(34)24(15)28(35)23(16)21(32)10-13)30(37)17-4-3-5-20(31)25(17)29(36)26-19(30)9-14(2)11-22(26)33/h3-11,31-34,37H,12H2,1-2H3/t30-/m0/s1.
What are the key properties of (10R)-10-(1,8-dihydroxy-6-methyl-9-oxo-10H-anthracen-2-yl)-1,8,10-trihydroxy-3-methylanthracen-9-one?
(10R)-10-(1,8-dihydroxy-6-methyl-9-oxo-10H-anthracen-2-yl)-1,8,10-trihydroxy-3-methylanthracen-9-one has a molecular weight of 494.50 g/mol, XLogP of 4.09, 1 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (10R)-10-(1,8-dihydroxy-6-methyl-9-oxo-10H-anthracen-2-yl)-1,8,10-trihydroxy-3-methylanthracen-9-one is sourced from PubChem (CID 163004894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).