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Oryzalexin E

CAT: 0931-TN8030-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-TN8030-02Size:50 mg
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CAS Number
150943-96-7
Target
Antifungal
Related Pathways
Microbiology/Virology
Bioactivity
Oryzalexin E, a diterpene phytoalexin, is isolated from rice leaves exposed to ultraviolet radiation. It inhibits the germination of Pyricularia oryzae spores, with an effective dose (ED50) of 62.5 ppm.
Smiles
C[C@@]12[C@]3(O)C(=C[C@](C=C)(C)CC3)CC[C@]1(C(C)(C)[C@@H](O)CC2)[H]
Molecular Formula
C20H32O2
Molecular Weight
304.47
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Oryzalexin E

Oryzalexin E is a tricyclic diterpenoid that is ent-sandaracopimaradiene bearing two additional hydroxy substituents at the 3alpha- and 9beta-positions. It has a role as a plant metabolite.

CAS Number150943-96-7
PubChem CID86289490
IUPAC Name(2R,4aR,4bS,7S,10aR)-7-ethenyl-1,1,4a,7-tetramethyl-2,3,4,5,6,9,10,10a-octahydrophenanthrene-2,4b-diol
Molecular FormulaC20H32O2
Molecular Weight304.5
XLogP4
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count22
Formal Charge0
Complexity520
SMILES
C[C@]1(CC[C@@]2(C(=C1)CC[C@H]3[C@]2(CC[C@H](C3(C)C)O)C)O)C=C
InChI
InChI=1S/C20H32O2/c1-6-18(4)11-12-20(22)14(13-18)7-8-15-17(2,3)16(21)9-10-19(15,20)5/h6,13,15-16,21-22H,1,7-12H2,2-5H3/t15-,16-,18-,19-,20+/m1/s1
InChIKey
RGLTYROISYBKIW-BDUQCRIQSA-N
Chemical Structure
2D Structure
2D structure of Oryzalexin E
CAS: 150943-96-7
CID: 86289490
Formula: C20H32O2
MW: 304.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight304.5
XLogP34
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass304.240230259
Monoisotopic Mass304.240230259
Topological Polar Surface Area40.5 Ų
Heavy Atom Count22
Formal Charge0
Complexity520
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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