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Pseudostellarin A

CAT: 0013-GTR19243021-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19243021-01Size:10 mg
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Description
Pseudostellarin A is a cyclic peptide natural product utilized in life sciences research. It serves as a valuable tool for in vitro studies investigating biological activities, including potential effects on cell proliferation and angiogenesis, based on published scientific literature.
CAS Number
156430-20-5
Smiles
O=C1[C@]2 (N (CCC2) C (=O) CNC (=O) [C@H] (C) NC (=O) [C@H] (CC (C) C) NC (=O) [C@H] (CC3=CC=C (O) C=C3) N1) [H]
Molecular Formula
C25H35N5O6
Molecular Weight
501.58
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Pseudostellarin A

Pseudostellarin A has been reported in Stellaria yunnanensis and Pseudostellaria heterophylla with data available.

CAS Number156430-20-5
PubChem CID10391309
IUPAC Name(6S,9S,12S,15S)-12-[(4-hydroxyphenyl)methyl]-6-methyl-9-(2-methylpropyl)-1,4,7,10,13-pentazabicyclo[13.3.0]octadecane-2,5,8,11,14-pentone
Molecular FormulaC25H35N5O6
Molecular Weight501.6
XLogP1.2
Topological Polar Surface Area157
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count36
Formal Charge0
Complexity841
SMILES
C[C@H]1C(=O)NCC(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC(C)C)CC3=CC=C(C=C3)O
InChI
InChI=1S/C25H35N5O6/c1-14(2)11-18-23(34)27-15(3)22(33)26-13-21(32)30-10-4-5-20(30)25(36)29-19(24(35)28-18)12-16-6-8-17(31)9-7-16/h6-9,14-15,18-20,31H,4-5,10-13H2,1-3H3,(H,26,33)(H,27,34)(H,28,35)(H,29,36)/t15-,18-,19-,20-/m0/s1
InChIKey
DBUMGRDLKHIWEI-KNTRFNDTSA-N
Chemical Structure
2D Structure
2D structure of Pseudostellarin A
CAS: 156430-20-5
CID: 10391309
Formula: C25H35N5O6
MW: 501.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight501.6
XLogP31.2
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass501.25873385
Monoisotopic Mass501.25873385
Topological Polar Surface Area157 Ų
Heavy Atom Count36
Formal Charge0
Complexity841
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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TN8576-01Pseudostellarin A
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