(9R)-6,9,11-trihydroxy-9-(2-octoxyacetyl)-8,10-dihydro-7H-tetracene-5,12-dione

C28H32O7 — CID 13292997

IUPAC(9R)-6,9,11-trihydroxy-9-(2-octoxyacetyl)-8,10-dihydro-7H-tetracene-5,12-dione
SMILESCCCCCCCCOCC(=O)[C@@]1(O)CCc2c(O)c3c(c(O)c2C1)C(=O)c1ccccc1C3=O
InChIInChI=1S/C28H32O7/c1-2-3-4-5-6-9-14-35-16-21(29)28(34)13-12-19-20(15-28)27(33)23-22(26(19)32)24(30)17-10-7-8-11-18(17)25(23)31/h7-8,10-11,32-34H,2-6,9,12-16H2,1H3/t28-/m1/s1
InChIKeyCNBPKFDRWGYJJW-MUUNZHRXSA-N
MW480.56 g/mol
LogP4.04
Rot. Bonds10

About (9R)-6,9,11-trihydroxy-9-(2-octoxyacetyl)-8,10-dihydro-7H-tetracene-5,12-dione

(9R)-6,9,11-trihydroxy-9-(2-octoxyacetyl)-8,10-dihydro-7H-tetracene-5,12-dione (PubChem CID 13292997) has the molecular formula C28H32O7 and a molecular weight of 480.56 g/mol. Its IUPAC name is (9R)-6,9,11-trihydroxy-9-(2-octoxyacetyl)-8,10-dihydro-7H-tetracene-5,12-dione.

Molecular Properties

Compound Name(9R)-6,9,11-trihydroxy-9-(2-octoxyacetyl)-8,10-dihydro-7H-tetracene-5,12-dione
PubChem CID13292997
Molecular FormulaC28H32O7
Molecular Weight480.56 g/mol
Exact Mass480.21
IUPAC Name(9R)-6,9,11-trihydroxy-9-(2-octoxyacetyl)-8,10-dihydro-7H-tetracene-5,12-dione
SMILESCCCCCCCCOCC(=O)[C@@]1(O)CCc2c(O)c3c(c(O)c2C1)C(=O)c1ccccc1C3=O
InChIInChI=1S/C28H32O7/c1-2-3-4-5-6-9-14-35-16-21(29)28(34)13-12-19-20(15-28)27(33)23-22(26(19)32)24(30)17-10-7-8-11-18(17)25(23)31/h7-8,10-11,32-34H,2-6,9,12-16H2,1H3/t28-/m1/s1
InChIKeyCNBPKFDRWGYJJW-MUUNZHRXSA-N
XLogP4.04
TPSA121.13 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.56
LogP ≤ 54.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (9R)-6,9,11-trihydroxy-9-(2-octoxyacetyl)-8,10-dihydro-7H-tetracene-5,12-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

(9R)-9-acetyl-6-[3-(3-aminopropylamino)propoxymethyl]-9,11-dihydroxy-8,10-dihydro-7H-tetracene-5,12-dione
CID 10648399
N-[4-[[(2R)-2-acetyl-2,12-dihydroxy-6,11-dioxo-3,4-dihydro-1H-tetracen-5-yl]methoxy]butyl]-4-nitrobenzamide
CID 10555334
9-acetyl-9-hydroxy-6,11-dimethoxy-8,10-dihydro-7H-tetracene-5,12-dione
CID 12819113
4-decoxy-1,2-dihydroxyanthracene-9,10-dione
CID 134215182
N-[2-(1,1-dimethoxyethyl)-5,12-dihydroxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]propanamide
CID 139915119
9-[2-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxyacetyl]-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
CID 53462548
9-acetyl-6,9-dihydroxy-8,10-dihydro-7H-tetracene-5,12-dione
CID 13051574
(9S)-9-[(1S)-1,2-dihydroxyethyl]-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
CID 92969709
(7S,9R)-9-acetyl-6,9,11-trihydroxy-7-methyl-8,10-dihydro-7H-tetracene-5,12-dione
CID 70886719
6,11-dihydroxy-9-(2-hydroxyacetyl)-4-methoxy-9-methyl-8,10-dihydro-7H-tetracene-5,12-dione
CID 123421599
1-amino-2-decoxy-4-hydroxyanthracene-9,10-dione
CID 90068747
octyl 9,10-dioxoanthracene-2-carboxylate
CID 4522297

Frequently Asked Questions

What is the IUPAC name of (9R)-6,9,11-trihydroxy-9-(2-octoxyacetyl)-8,10-dihydro-7H-tetracene-5,12-dione?
The IUPAC name of (9R)-6,9,11-trihydroxy-9-(2-octoxyacetyl)-8,10-dihydro-7H-tetracene-5,12-dione (CID 13292997) is (9R)-6,9,11-trihydroxy-9-(2-octoxyacetyl)-8,10-dihydro-7H-tetracene-5,12-dione.
What is the SMILES notation for (9R)-6,9,11-trihydroxy-9-(2-octoxyacetyl)-8,10-dihydro-7H-tetracene-5,12-dione?
The canonical SMILES for (9R)-6,9,11-trihydroxy-9-(2-octoxyacetyl)-8,10-dihydro-7H-tetracene-5,12-dione is CCCCCCCCOCC(=O)[C@@]1(O)CCc2c(O)c3c(c(O)c2C1)C(=O)c1ccccc1C3=O.
What is the InChIKey of (9R)-6,9,11-trihydroxy-9-(2-octoxyacetyl)-8,10-dihydro-7H-tetracene-5,12-dione?
The InChIKey is CNBPKFDRWGYJJW-MUUNZHRXSA-N. The full InChI is InChI=1S/C28H32O7/c1-2-3-4-5-6-9-14-35-16-21(29)28(34)13-12-19-20(15-28)27(33)23-22(26(19)32)24(30)17-10-7-8-11-18(17)25(23)31/h7-8,10-11,32-34H,2-6,9,12-16H2,1H3/t28-/m1/s1.
What are the key properties of (9R)-6,9,11-trihydroxy-9-(2-octoxyacetyl)-8,10-dihydro-7H-tetracene-5,12-dione?
(9R)-6,9,11-trihydroxy-9-(2-octoxyacetyl)-8,10-dihydro-7H-tetracene-5,12-dione has a molecular weight of 480.56 g/mol, XLogP of 4.04, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (9R)-6,9,11-trihydroxy-9-(2-octoxyacetyl)-8,10-dihydro-7H-tetracene-5,12-dione is sourced from PubChem (CID 13292997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).