(6R,7S)-6,7,10-trihydroxy-2-methoxy-7-methyl-6,8-dihydro-5H-anthracene-1,4-dione

C16H16O6 — CID 10267010

IUPAC(6R,7S)-6,7,10-trihydroxy-2-methoxy-7-methyl-6,8-dihydro-5H-anthracene-1,4-dione
SMILESCOC1=CC(=O)c2c(cc3c(c2O)C[C@@H](O)[C@@](C)(O)C3)C1=O
InChIInChI=1S/C16H16O6/c1-16(21)6-7-3-9-13(15(20)8(7)4-12(16)18)10(17)5-11(22-2)14(9)19/h3,5,12,18,20-21H,4,6H2,1-2H3/t12-,16+/m1/s1
InChIKeyQNFWEYHUDXOXHJ-WBMJQRKESA-N
MW304.30 g/mol
LogP0.51
Rot. Bonds1

About (6R,7S)-6,7,10-trihydroxy-2-methoxy-7-methyl-6,8-dihydro-5H-anthracene-1,4-dione

(6R,7S)-6,7,10-trihydroxy-2-methoxy-7-methyl-6,8-dihydro-5H-anthracene-1,4-dione (PubChem CID 10267010) has the molecular formula C16H16O6 and a molecular weight of 304.30 g/mol. Its IUPAC name is (6R,7S)-6,7,10-trihydroxy-2-methoxy-7-methyl-6,8-dihydro-5H-anthracene-1,4-dione.

Molecular Properties

Compound Name(6R,7S)-6,7,10-trihydroxy-2-methoxy-7-methyl-6,8-dihydro-5H-anthracene-1,4-dione
PubChem CID10267010
Molecular FormulaC16H16O6
Molecular Weight304.30 g/mol
Exact Mass304.09
IUPAC Name(6R,7S)-6,7,10-trihydroxy-2-methoxy-7-methyl-6,8-dihydro-5H-anthracene-1,4-dione
SMILESCOC1=CC(=O)c2c(cc3c(c2O)C[C@@H](O)[C@@](C)(O)C3)C1=O
InChIInChI=1S/C16H16O6/c1-16(21)6-7-3-9-13(15(20)8(7)4-12(16)18)10(17)5-11(22-2)14(9)19/h3,5,12,18,20-21H,4,6H2,1-2H3/t12-,16+/m1/s1
InChIKeyQNFWEYHUDXOXHJ-WBMJQRKESA-N
XLogP0.51
TPSA104.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6R,7S)-6,7,10-trihydroxy-2-methoxy-7-methyl-6,8-dihydro-5H-anthracene-1,4-dione?
The IUPAC name of (6R,7S)-6,7,10-trihydroxy-2-methoxy-7-methyl-6,8-dihydro-5H-anthracene-1,4-dione (CID 10267010) is (6R,7S)-6,7,10-trihydroxy-2-methoxy-7-methyl-6,8-dihydro-5H-anthracene-1,4-dione.
What is the SMILES notation for (6R,7S)-6,7,10-trihydroxy-2-methoxy-7-methyl-6,8-dihydro-5H-anthracene-1,4-dione?
The canonical SMILES for (6R,7S)-6,7,10-trihydroxy-2-methoxy-7-methyl-6,8-dihydro-5H-anthracene-1,4-dione is COC1=CC(=O)c2c(cc3c(c2O)C[C@@H](O)[C@@](C)(O)C3)C1=O.
What is the InChIKey of (6R,7S)-6,7,10-trihydroxy-2-methoxy-7-methyl-6,8-dihydro-5H-anthracene-1,4-dione?
The InChIKey is QNFWEYHUDXOXHJ-WBMJQRKESA-N. The full InChI is InChI=1S/C16H16O6/c1-16(21)6-7-3-9-13(15(20)8(7)4-12(16)18)10(17)5-11(22-2)14(9)19/h3,5,12,18,20-21H,4,6H2,1-2H3/t12-,16+/m1/s1.
What are the key properties of (6R,7S)-6,7,10-trihydroxy-2-methoxy-7-methyl-6,8-dihydro-5H-anthracene-1,4-dione?
(6R,7S)-6,7,10-trihydroxy-2-methoxy-7-methyl-6,8-dihydro-5H-anthracene-1,4-dione has a molecular weight of 304.30 g/mol, XLogP of 0.51, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,7S)-6,7,10-trihydroxy-2-methoxy-7-methyl-6,8-dihydro-5H-anthracene-1,4-dione is sourced from PubChem (CID 10267010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).