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Lappaol A

CAT: 0013-GTR19183695-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19183695-01Size:1 mg
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Description
Lappaol A is a natural product with antioxidant and antiaging properties. Research indicates it extends C. elegans lifespan and enhances stress resistance via the JNK-1/DAF-16 pathway, and it also shows potential as a chemosensitizer in anticancer studies.
CAS Number
62333-08-8
Field of Research
Neuroscience, Pharmacology & Drug Discovery, Signal Transduction
Smiles
O (C) C1=C2C ([C@H] (CO) [C@] (O2) (C3=CC (OC) =C (O) C=C3) [H]) =CC (C[C@@H]4[C@@H] (CC5=CC (OC) =C (O) C=C5) C (=O) OC4) =C1
Molecular Formula
C30H32O9
Molecular Weight
536.57
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Lappaol A

Lappaol A is a member of benzofurans.

CAS Number62333-08-8
PubChem CID46173976
IUPAC Name(3R,4R)-4-[[(2S,3R)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]methyl]-3-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one
Molecular FormulaC30H32O9
Molecular Weight536.6
XLogP3.9
Topological Polar Surface Area124
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count9
Heavy Atom Count39
Formal Charge0
Complexity809
SMILES
COC1=CC(=CC2=C1O[C@@H]([C@H]2CO)C3=CC(=C(C=C3)O)OC)C[C@H]4COC(=O)[C@@H]4CC5=CC(=C(C=C5)O)OC
InChI
InChI=1S/C30H32O9/c1-35-25-11-16(4-6-23(25)32)9-20-19(15-38-30(20)34)8-17-10-21-22(14-31)28(39-29(21)27(12-17)37-3)18-5-7-24(33)26(13-18)36-2/h4-7,10-13,19-20,22,28,31-33H,8-9,14-15H2,1-3H3/t19-,20+,22-,28+/m0/s1
InChIKey
PYLYQTVVQXPBIJ-OUZJQUPYSA-N
Chemical Structure
2D Structure
2D structure of Lappaol A
CAS: 62333-08-8
CID: 46173976
Formula: C30H32O9
MW: 536.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight536.6
XLogP33.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count9
Exact Mass536.20463259
Monoisotopic Mass536.20463259
Topological Polar Surface Area124 Ų
Heavy Atom Count39
Formal Charge0
Complexity809
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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