1,8-dihydroxy-3-methoxy-6-methyl-2-(2,5,10-trihydroxy-7-methoxy-2-methyl-4-oxo-1,3-dihydroanthracen-9-yl)anthracene-9,10-dione

C32H26O10 — CID 102318018

IUPAC1,8-dihydroxy-3-methoxy-6-methyl-2-(2,5,10-trihydroxy-7-methoxy-2-methyl-4-oxo-1,3-dihydroanthracen-9-yl)anthracene-9,10-dione
SMILESCOc1cc(O)c2c(O)c3c(c(-c4c(OC)cc5c(c4O)C(=O)c4c(O)cc(C)cc4C5=O)c2c1)CC(C)(O)CC3=O
InChIInChI=1S/C32H26O10/c1-12-5-15-24(18(33)6-12)30(38)26-16(28(15)36)9-21(42-4)27(31(26)39)22-14-7-13(41-3)8-19(34)23(14)29(37)25-17(22)10-32(2,40)11-20(25)35/h5-9,33-34,37,39-40H,10-11H2,1-4H3
InChIKeyLKMSWRVEGLONJV-UHFFFAOYSA-N
MW570.55 g/mol
LogP4.31
Rot. Bonds3

About 1,8-dihydroxy-3-methoxy-6-methyl-2-(2,5,10-trihydroxy-7-methoxy-2-methyl-4-oxo-1,3-dihydroanthracen-9-yl)anthracene-9,10-dione

1,8-dihydroxy-3-methoxy-6-methyl-2-(2,5,10-trihydroxy-7-methoxy-2-methyl-4-oxo-1,3-dihydroanthracen-9-yl)anthracene-9,10-dione (PubChem CID 102318018) has the molecular formula C32H26O10 and a molecular weight of 570.55 g/mol. Its IUPAC name is 1,8-dihydroxy-3-methoxy-6-methyl-2-(2,5,10-trihydroxy-7-methoxy-2-methyl-4-oxo-1,3-dihydroanthracen-9-yl)anthracene-9,10-dione.

Molecular Properties

Compound Name1,8-dihydroxy-3-methoxy-6-methyl-2-(2,5,10-trihydroxy-7-methoxy-2-methyl-4-oxo-1,3-dihydroanthracen-9-yl)anthracene-9,10-dione
PubChem CID102318018
Molecular FormulaC32H26O10
Molecular Weight570.55 g/mol
Exact Mass570.15
IUPAC Name1,8-dihydroxy-3-methoxy-6-methyl-2-(2,5,10-trihydroxy-7-methoxy-2-methyl-4-oxo-1,3-dihydroanthracen-9-yl)anthracene-9,10-dione
SMILESCOc1cc(O)c2c(O)c3c(c(-c4c(OC)cc5c(c4O)C(=O)c4c(O)cc(C)cc4C5=O)c2c1)CC(C)(O)CC3=O
InChIInChI=1S/C32H26O10/c1-12-5-15-24(18(33)6-12)30(38)26-16(28(15)36)9-21(42-4)27(31(26)39)22-14-7-13(41-3)8-19(34)23(14)29(37)25-17(22)10-32(2,40)11-20(25)35/h5-9,33-34,37,39-40H,10-11H2,1-4H3
InChIKeyLKMSWRVEGLONJV-UHFFFAOYSA-N
XLogP4.31
TPSA170.82 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500570.55
LogP ≤ 54.31
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 1,8-dihydroxy-3-methoxy-6-methyl-2-(2,5,10-trihydroxy-7-methoxy-2-methyl-4-oxo-1,3-dihydroanthracen-9-yl)anthracene-9,10-dione 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

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-3-methoxy-6-methyl-2-[(2S,3S)-2,3,10-trihydroxy-5,7-dimethoxy-2-methyl-4-oxo-1,3-dihydroanthracen-9-yl]anthracene-9,10-dione
CID 10579469
1,8-dihydroxy-3-methoxy-6-methyl-2-(1,6,9-trihydroxy-3-methoxy-6-methyl-8-oxo-5,7-dihydroanthracen-2-yl)anthracene-9,10-dione
CID 162959174
3,13,21-trihydroxy-5,7,29-trimethoxy-13,23-dimethyl-16-oxahexacyclo[15.12.0.02,11.04,9.018,27.020,25]nonacosa-1(29),2,4,6,8,10,17,20(25),21,23,27-undecaene-15,19,26-trione
CID 14605232
1-hydroxy-6-methoxy-3,8-dimethylanthracene-9,10-dione
CID 59981445
5,10-dihydroxy-2-methoxy-7-methyl-9-[(6S)-1,6,9-trihydroxy-3-methoxy-6-methyl-8-oxo-5,7-dihydroanthracen-2-yl]anthracene-1,4-dione
CID 154497273
10-(5,9-dihydroxy-2,4-dimethoxy-7-methyl-10-oxoanthracen-9-yl)-3,13,19,23-tetrahydroxy-5,7,29-trimethoxy-13,23-dimethyl-16-oxahexacyclo[15.12.0.02,11.04,9.018,27.020,25]nonacosa-1(17),2,4(9),5,7,10,18,20(25),26,28-decaene-15,21-dione
CID 163026975
7,10-dihydroxy-5-methoxy-2-methyl-9-(2,7,10-trihydroxy-4-methoxy-7-methyl-5-oxo-6,8-dihydroanthracen-1-yl)anthracene-1,4-dione
CID 14355110
11-hydroxy-5-methoxy-2,2,9-trimethyl-3,4-dihydronaphtho[3,2-h]chromene-7,12-dione
CID 14729074
1,3,8-trimethoxy-6-methylanthracene-9,10-dione
CID 7330510
3,13,19,23,26-pentahydroxy-7,29-dimethoxy-13,23-dimethyl-16-oxahexacyclo[15.12.0.02,11.04,9.018,27.020,25]nonacosa-1(29),2,4(9),6,10,17,19,25,27-nonaene-5,8,15,21-tetrone
CID 162984155
6-(dibromomethyl)-1-hydroxy-3,8-dimethoxyanthracene-9,10-dione
CID 14563117

Frequently Asked Questions

What is the IUPAC name of 1,8-dihydroxy-3-methoxy-6-methyl-2-(2,5,10-trihydroxy-7-methoxy-2-methyl-4-oxo-1,3-dihydroanthracen-9-yl)anthracene-9,10-dione?
The IUPAC name of 1,8-dihydroxy-3-methoxy-6-methyl-2-(2,5,10-trihydroxy-7-methoxy-2-methyl-4-oxo-1,3-dihydroanthracen-9-yl)anthracene-9,10-dione (CID 102318018) is 1,8-dihydroxy-3-methoxy-6-methyl-2-(2,5,10-trihydroxy-7-methoxy-2-methyl-4-oxo-1,3-dihydroanthracen-9-yl)anthracene-9,10-dione.
What is the SMILES notation for 1,8-dihydroxy-3-methoxy-6-methyl-2-(2,5,10-trihydroxy-7-methoxy-2-methyl-4-oxo-1,3-dihydroanthracen-9-yl)anthracene-9,10-dione?
The canonical SMILES for 1,8-dihydroxy-3-methoxy-6-methyl-2-(2,5,10-trihydroxy-7-methoxy-2-methyl-4-oxo-1,3-dihydroanthracen-9-yl)anthracene-9,10-dione is COc1cc(O)c2c(O)c3c(c(-c4c(OC)cc5c(c4O)C(=O)c4c(O)cc(C)cc4C5=O)c2c1)CC(C)(O)CC3=O.
What is the InChIKey of 1,8-dihydroxy-3-methoxy-6-methyl-2-(2,5,10-trihydroxy-7-methoxy-2-methyl-4-oxo-1,3-dihydroanthracen-9-yl)anthracene-9,10-dione?
The InChIKey is LKMSWRVEGLONJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26O10/c1-12-5-15-24(18(33)6-12)30(38)26-16(28(15)36)9-21(42-4)27(31(26)39)22-14-7-13(41-3)8-19(34)23(14)29(37)25-17(22)10-32(2,40)11-20(25)35/h5-9,33-34,37,39-40H,10-11H2,1-4H3.
What are the key properties of 1,8-dihydroxy-3-methoxy-6-methyl-2-(2,5,10-trihydroxy-7-methoxy-2-methyl-4-oxo-1,3-dihydroanthracen-9-yl)anthracene-9,10-dione?
1,8-dihydroxy-3-methoxy-6-methyl-2-(2,5,10-trihydroxy-7-methoxy-2-methyl-4-oxo-1,3-dihydroanthracen-9-yl)anthracene-9,10-dione has a molecular weight of 570.55 g/mol, XLogP of 4.31, 3 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-dihydroxy-3-methoxy-6-methyl-2-(2,5,10-trihydroxy-7-methoxy-2-methyl-4-oxo-1,3-dihydroanthracen-9-yl)anthracene-9,10-dione is sourced from PubChem (CID 102318018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).