(3S,4S)-3,4,6,8-tetrahydroxy-7-methoxy-3,4-dihydro-2H-naphthalen-1-one

C11H12O6 — CID 132512649

IUPAC(3S,4S)-3,4,6,8-tetrahydroxy-7-methoxy-3,4-dihydro-2H-naphthalen-1-one
SMILESCOc1c(O)cc2c(c1O)C(=O)C[C@H](O)[C@H]2O
InChIInChI=1S/C11H12O6/c1-17-11-7(14)2-4-8(10(11)16)5(12)3-6(13)9(4)15/h2,6,9,13-16H,3H2,1H3/t6-,9-/m0/s1
InChIKeyHBWGWYUAYZISMX-RCOVLWMOSA-N
MW240.21 g/mol
LogP0.09
Rot. Bonds1

About (3S,4S)-3,4,6,8-tetrahydroxy-7-methoxy-3,4-dihydro-2H-naphthalen-1-one

(3S,4S)-3,4,6,8-tetrahydroxy-7-methoxy-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 132512649) has the molecular formula C11H12O6 and a molecular weight of 240.21 g/mol. Its IUPAC name is (3S,4S)-3,4,6,8-tetrahydroxy-7-methoxy-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name(3S,4S)-3,4,6,8-tetrahydroxy-7-methoxy-3,4-dihydro-2H-naphthalen-1-one
PubChem CID132512649
Molecular FormulaC11H12O6
Molecular Weight240.21 g/mol
Exact Mass240.06
IUPAC Name(3S,4S)-3,4,6,8-tetrahydroxy-7-methoxy-3,4-dihydro-2H-naphthalen-1-one
SMILESCOc1c(O)cc2c(c1O)C(=O)C[C@H](O)[C@H]2O
InChIInChI=1S/C11H12O6/c1-17-11-7(14)2-4-8(10(11)16)5(12)3-6(13)9(4)15/h2,6,9,13-16H,3H2,1H3/t6-,9-/m0/s1
InChIKeyHBWGWYUAYZISMX-RCOVLWMOSA-N
XLogP0.09
TPSA107.22 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.21
LogP ≤ 50.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze (3S,4S)-3,4,6,8-tetrahydroxy-7-methoxy-3,4-dihydro-2H-naphthalen-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S,4S)-7-ethyl-4,8-dihydroxy-3,6-dimethoxy-3,4-dihydro-2H-naphthalen-1-one
CID 139588653
(2S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-6-methoxy-2,3-dihydrochromen-4-one
CID 56850105
(3S,4R)-4,8-dihydroxy-3-(hydroxymethyl)-6-methoxy-3,4-dihydro-2H-naphthalen-1-one
CID 139589915
5,7-dihydroxy-6-methoxy-3H-2-benzofuran-1-one
CID 102295970
7,9-dihydroxy-4-(2-hydroxypropyl)-8-methoxy-4,5-dihydro-1H-3-benzoxocine-2,6-dione
CID 139587266
(6R,7S)-6,10-dihydroxy-7-methoxy-3-methyl-7,8-dihydro-6H-benzo[g]isoquinolin-9-one
CID 139587252
(9R,10S)-4,14,15-trimethoxy-9,10-dimethyltricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene-3,5,16-triol
CID 46832246
1,3,8-trihydroxy-2-methoxy-7-methylanthracene-9,10-dione
CID 25203826
2-(2,4-dihydroxyphenyl)-5-hydroxy-6,7-dimethoxy-2,3-dihydrochromen-4-one
CID 162898919
2-(3,5-dihydroxy-4-methoxyphenyl)-5-hydroxy-7-methoxy-2,3-dihydrochromen-4-one
CID 162788462
(2S)-2-(3,5-dihydroxy-4-methoxyphenyl)-5-hydroxy-7-methoxy-2,3-dihydrochromen-4-one
CID 162788463
(3S)-3,6-dihydroxy-4-methoxy-5-methyl-2,3-dihydroinden-1-one
CID 169491606

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3,4,6,8-tetrahydroxy-7-methoxy-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of (3S,4S)-3,4,6,8-tetrahydroxy-7-methoxy-3,4-dihydro-2H-naphthalen-1-one (CID 132512649) is (3S,4S)-3,4,6,8-tetrahydroxy-7-methoxy-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for (3S,4S)-3,4,6,8-tetrahydroxy-7-methoxy-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for (3S,4S)-3,4,6,8-tetrahydroxy-7-methoxy-3,4-dihydro-2H-naphthalen-1-one is COc1c(O)cc2c(c1O)C(=O)C[C@H](O)[C@H]2O.
What is the InChIKey of (3S,4S)-3,4,6,8-tetrahydroxy-7-methoxy-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is HBWGWYUAYZISMX-RCOVLWMOSA-N. The full InChI is InChI=1S/C11H12O6/c1-17-11-7(14)2-4-8(10(11)16)5(12)3-6(13)9(4)15/h2,6,9,13-16H,3H2,1H3/t6-,9-/m0/s1.
What are the key properties of (3S,4S)-3,4,6,8-tetrahydroxy-7-methoxy-3,4-dihydro-2H-naphthalen-1-one?
(3S,4S)-3,4,6,8-tetrahydroxy-7-methoxy-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 240.21 g/mol, XLogP of 0.09, 1 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3,4,6,8-tetrahydroxy-7-methoxy-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 132512649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).