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Erinacine P

CAT: 0804-HY-N11019Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-N11019Size:1 mg
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Description
Erinacine P (compoud 1) is a parental metabolite of luteolin. Erinacine P can be isolated from the mycelia of basidiomycetous Hericium erinaceum YB4-6237. Under mild conditions, Erinacine P is able to be chemically converted to Erinacine B and then to Erinacine A[1].
CAS Number
291532-17-7
UNSPSC
12352005
Target
Others
Type
Natural Products
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/erinacine-p.html
Purity
98.80
Solubility
10 mM in DMSO
Smiles
C[C@]12C([C@]3([H])[C@]([C@H](C=C([C@@H](C3)OC(C)=O)C=O)O[C@H]4[C@@H]([C@H]([C@@H](CO4)O)O)O)(CC1)C)=C(CC2)C(C)C
Molecular Formula
C27H40O8
Molecular Weight
492.60
References & Citations
[1]Kenmoku H, et al. Isolation of erinacine P, a new parental metabolite of cyathane-xylosides, from Hericium erinaceum and its biomimetic conversion into erinacines A and B[J]. Tetrahedron Letters, 2000, 41 (22) : 4389-4393.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C (Powder, protect from light)
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Erinacine P

Erinacine P is a diterpenoid.

CAS Number291532-17-7
PubChem CID15886639
IUPAC Name[(3aR,5aR,6S,9R,10aR)-8-formyl-3a,5a-dimethyl-1-propan-2-yl-6-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-2,3,4,5,6,9,10,10a-octahydrocyclohepta[e]inden-9-yl] acetate
Molecular FormulaC27H40O8
Molecular Weight492.6
XLogP1.4
Topological Polar Surface Area123
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Heavy Atom Count35
Formal Charge0
Complexity909
SMILES
CC(C)C1=C2[C@H]3C[C@H](C(=C[C@@H]([C@@]3(CC[C@]2(CC1)C)C)O[C@H]4[C@@H]([C@H]([C@@H](CO4)O)O)O)C=O)OC(=O)C
InChI
InChI=1S/C27H40O8/c1-14(2)17-6-7-26(4)8-9-27(5)18(22(17)26)11-20(34-15(3)29)16(12-28)10-21(27)35-25-24(32)23(31)19(30)13-33-25/h10,12,14,18-21,23-25,30-32H,6-9,11,13H2,1-5H3/t18-,19-,20-,21+,23+,24-,25+,26-,27-/m1/s1
InChIKey
SEBFACPAABUJNW-JGSLRZJPSA-N
Chemical Structure
2D Structure
2D structure of Erinacine P
CAS: 291532-17-7
CID: 15886639
Formula: C27H40O8
MW: 492.6
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight492.6
XLogP31.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Exact Mass492.27231823
Monoisotopic Mass492.27231823
Topological Polar Surface Area123 Ų
Heavy Atom Count35
Formal Charge0
Complexity909
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes