(7R,8S,9R)-4,6,9-trihydroxy-2,8-dimethoxy-9-methyl-7-propan-2-yloxy-8,10-dihydro-7H-tetracene-5,12-dione

C24H26O8 — CID 130194203

IUPAC(7R,8S,9R)-4,6,9-trihydroxy-2,8-dimethoxy-9-methyl-7-propan-2-yloxy-8,10-dihydro-7H-tetracene-5,12-dione
SMILESCOc1cc(O)c2c(c1)C(=O)c1cc3c(c(O)c1C2=O)[C@@H](OC(C)C)[C@H](OC)[C@](C)(O)C3
InChIInChI=1S/C24H26O8/c1-10(2)32-22-16-11(9-24(3,29)23(22)31-5)6-13-18(20(16)27)21(28)17-14(19(13)26)7-12(30-4)8-15(17)25/h6-8,10,22-23,25,27,29H,9H2,1-5H3/t22-,23+,24-/m1/s1
InChIKeyMNMVXMLDZHFHJK-TZRRMPRUSA-N
MW442.46 g/mol
LogP2.67
Rot. Bonds4

About (7R,8S,9R)-4,6,9-trihydroxy-2,8-dimethoxy-9-methyl-7-propan-2-yloxy-8,10-dihydro-7H-tetracene-5,12-dione

(7R,8S,9R)-4,6,9-trihydroxy-2,8-dimethoxy-9-methyl-7-propan-2-yloxy-8,10-dihydro-7H-tetracene-5,12-dione (PubChem CID 130194203) has the molecular formula C24H26O8 and a molecular weight of 442.46 g/mol. Its IUPAC name is (7R,8S,9R)-4,6,9-trihydroxy-2,8-dimethoxy-9-methyl-7-propan-2-yloxy-8,10-dihydro-7H-tetracene-5,12-dione.

Molecular Properties

Compound Name(7R,8S,9R)-4,6,9-trihydroxy-2,8-dimethoxy-9-methyl-7-propan-2-yloxy-8,10-dihydro-7H-tetracene-5,12-dione
PubChem CID130194203
Molecular FormulaC24H26O8
Molecular Weight442.46 g/mol
Exact Mass442.16
IUPAC Name(7R,8S,9R)-4,6,9-trihydroxy-2,8-dimethoxy-9-methyl-7-propan-2-yloxy-8,10-dihydro-7H-tetracene-5,12-dione
SMILESCOc1cc(O)c2c(c1)C(=O)c1cc3c(c(O)c1C2=O)[C@@H](OC(C)C)[C@H](OC)[C@](C)(O)C3
InChIInChI=1S/C24H26O8/c1-10(2)32-22-16-11(9-24(3,29)23(22)31-5)6-13-18(20(16)27)21(28)17-14(19(13)26)7-12(30-4)8-15(17)25/h6-8,10,22-23,25,27,29H,9H2,1-5H3/t22-,23+,24-/m1/s1
InChIKeyMNMVXMLDZHFHJK-TZRRMPRUSA-N
XLogP2.67
TPSA122.52 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.46
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze (7R,8S,9R)-4,6,9-trihydroxy-2,8-dimethoxy-9-methyl-7-propan-2-yloxy-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

Frequently Asked Questions

What is the IUPAC name of (7R,8S,9R)-4,6,9-trihydroxy-2,8-dimethoxy-9-methyl-7-propan-2-yloxy-8,10-dihydro-7H-tetracene-5,12-dione?
The IUPAC name of (7R,8S,9R)-4,6,9-trihydroxy-2,8-dimethoxy-9-methyl-7-propan-2-yloxy-8,10-dihydro-7H-tetracene-5,12-dione (CID 130194203) is (7R,8S,9R)-4,6,9-trihydroxy-2,8-dimethoxy-9-methyl-7-propan-2-yloxy-8,10-dihydro-7H-tetracene-5,12-dione.
What is the SMILES notation for (7R,8S,9R)-4,6,9-trihydroxy-2,8-dimethoxy-9-methyl-7-propan-2-yloxy-8,10-dihydro-7H-tetracene-5,12-dione?
The canonical SMILES for (7R,8S,9R)-4,6,9-trihydroxy-2,8-dimethoxy-9-methyl-7-propan-2-yloxy-8,10-dihydro-7H-tetracene-5,12-dione is COc1cc(O)c2c(c1)C(=O)c1cc3c(c(O)c1C2=O)[C@@H](OC(C)C)[C@H](OC)[C@](C)(O)C3.
What is the InChIKey of (7R,8S,9R)-4,6,9-trihydroxy-2,8-dimethoxy-9-methyl-7-propan-2-yloxy-8,10-dihydro-7H-tetracene-5,12-dione?
The InChIKey is MNMVXMLDZHFHJK-TZRRMPRUSA-N. The full InChI is InChI=1S/C24H26O8/c1-10(2)32-22-16-11(9-24(3,29)23(22)31-5)6-13-18(20(16)27)21(28)17-14(19(13)26)7-12(30-4)8-15(17)25/h6-8,10,22-23,25,27,29H,9H2,1-5H3/t22-,23+,24-/m1/s1.
What are the key properties of (7R,8S,9R)-4,6,9-trihydroxy-2,8-dimethoxy-9-methyl-7-propan-2-yloxy-8,10-dihydro-7H-tetracene-5,12-dione?
(7R,8S,9R)-4,6,9-trihydroxy-2,8-dimethoxy-9-methyl-7-propan-2-yloxy-8,10-dihydro-7H-tetracene-5,12-dione has a molecular weight of 442.46 g/mol, XLogP of 2.67, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (7R,8S,9R)-4,6,9-trihydroxy-2,8-dimethoxy-9-methyl-7-propan-2-yloxy-8,10-dihydro-7H-tetracene-5,12-dione is sourced from PubChem (CID 130194203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).