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Phaeocaulisin E

CAT: 0804-HY-N11570-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-N11570-01Size:1 mg
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Description
Phaeocaulisin E (Compound 5) is a guaiane-type sesquiterpene that inhibits LPS HY- -induced NO production in RAW 264.7 macrophages with an IC50 of 10.3 μM[1].
CAS Number
1443040-31-0
UNSPSC
12352211
Target
Others
Type
Natural Products
Related Pathways
Others
Applications
COVID-19-immunoregulation
Field of Research
Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/phaeocaulisin-e.html
Solubility
10 mM in DMSO
Smiles
C[C@]1([C@]2([H])[C@](CC1)([H])[C@@](O)(CC(/C(C2)=C(C)/C)=O)C)O
Molecular Formula
C15H24O3
Molecular Weight
252.35
References & Citations
[1]Liu Y, et al. Guaiane-type sesquiterpenes from Curcuma phaeocaulis and their inhibitory effects on nitric oxide production. J Nat Prod. 2013 Jun 28;76 (6) :1150-6.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Phaeocaulisin E

Phaeocaulisin E has been reported in Curcuma phaeocaulis with data available.

CAS Number1443040-31-0
PubChem CID14633000
IUPAC Name(3S,3aS,8S,8aR)-3,8-dihydroxy-3,8-dimethyl-5-propan-2-ylidene-1,2,3a,4,7,8a-hexahydroazulen-6-one
Molecular FormulaC15H24O3
Molecular Weight252.35
XLogP1.6
Topological Polar Surface Area57.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count18
Formal Charge0
Complexity408
SMILES
CC(=C1C[C@H]2[C@@H](CC[C@]2(C)O)[C@@](CC1=O)(C)O)C
InChI
InChI=1S/C15H24O3/c1-9(2)10-7-12-11(5-6-14(12,3)17)15(4,18)8-13(10)16/h11-12,17-18H,5-8H2,1-4H3/t11-,12+,14+,15+/m1/s1
InChIKey
TXIKNNOOLCGADE-DHMWGJHJSA-N
Chemical Structure
2D Structure
2D structure of Phaeocaulisin E
CAS: 1443040-31-0
CID: 14633000
Formula: C15H24O3
MW: 252.35
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight252.35
XLogP31.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass252.17254462
Monoisotopic Mass252.17254462
Topological Polar Surface Area57.5 Ų
Heavy Atom Count18
Formal Charge0
Complexity408
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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