Rhytidenone A

C26H24O7 — CID 139043988

IUPAC—
SMILESC[C@H]1O[C@@H]2[C@@H](O)[C@@H]3C(=CCCC34Oc3cccc5cccc(c35)O4)C(=O)[C@@H]2[C@@]12CCC(=O)O2
InChIInChI=1S/C26H24O7/c1-13-25(12-10-18(27)33-25)21-22(28)15-7-4-11-26(20(15)23(29)24(21)30-13)31-16-8-2-5-14-6-3-9-17(32-26)19(14)16/h2-3,5-9,13,20-21,23-24,29H,4,10-12H2,1H3/t13-,20+,21+,23+,24+,25-/m1/s1
InChIKeyOWOYIAIIPDKQQG-ISHZGQMXSA-N
MW448.47 g/mol
LogP3.07
Rot. Bonds

About Rhytidenone A

Rhytidenone A (PubChem CID 139043988) has the molecular formula C26H24O7 and a molecular weight of 448.47 g/mol.

Molecular Properties

Compound NameRhytidenone A
PubChem CID139043988
Molecular FormulaC26H24O7
Molecular Weight448.47 g/mol
Exact Mass448.15
IUPAC Name—
SMILESC[C@H]1O[C@@H]2[C@@H](O)[C@@H]3C(=CCCC34Oc3cccc5cccc(c35)O4)C(=O)[C@@H]2[C@@]12CCC(=O)O2
InChIInChI=1S/C26H24O7/c1-13-25(12-10-18(27)33-25)21-22(28)15-7-4-11-26(20(15)23(29)24(21)30-13)31-16-8-2-5-14-6-3-9-17(32-26)19(14)16/h2-3,5-9,13,20-21,23-24,29H,4,10-12H2,1H3/t13-,20+,21+,23+,24+,25-/m1/s1
InChIKeyOWOYIAIIPDKQQG-ISHZGQMXSA-N
XLogP3.07
TPSA91.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.47
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of Rhytidenone A?
The IUPAC name of Rhytidenone A (CID 139043988) is not available.
What is the SMILES notation for Rhytidenone A?
The canonical SMILES for Rhytidenone A is C[C@H]1O[C@@H]2[C@@H](O)[C@@H]3C(=CCCC34Oc3cccc5cccc(c35)O4)C(=O)[C@@H]2[C@@]12CCC(=O)O2.
What is the InChIKey of Rhytidenone A?
The InChIKey is OWOYIAIIPDKQQG-ISHZGQMXSA-N. The full InChI is InChI=1S/C26H24O7/c1-13-25(12-10-18(27)33-25)21-22(28)15-7-4-11-26(20(15)23(29)24(21)30-13)31-16-8-2-5-14-6-3-9-17(32-26)19(14)16/h2-3,5-9,13,20-21,23-24,29H,4,10-12H2,1H3/t13-,20+,21+,23+,24+,25-/m1/s1.
What are the key properties of Rhytidenone A?
Rhytidenone A has a molecular weight of 448.47 g/mol, XLogP of 3.07, 0 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for Rhytidenone A is sourced from PubChem (CID 139043988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).