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(2S) -7,4'-Dihydroxy-3'-prenylflavan

CAT: 0931-TN3214-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-TN3214-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
376361-96-5
Target
Antifection
Related Pathways
Microbiology/Virology
Purity
0.98
Bioactivity
7,4'-Dihydroxy-3'-prenylflavan has antibacterial activity.
Smiles
C\C(C)=C\Cc1cc(ccc1O)[C@@H]1CCc2ccc(O)cc2O1
Molecular Formula
C20H22O3
Molecular Weight
310.39
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(2S)-7,4'-Dihydroxy-3'-Prenylflavan

7,4'-Dihydroxy-3'-prenylflavan has been reported in Broussonetia with data available.

CAS Number376361-96-5
PubChem CID10990534
IUPAC Name(2S)-2-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-3,4-dihydro-2H-chromen-7-ol
Molecular FormulaC20H22O3
Molecular Weight310.4
XLogP5
Topological Polar Surface Area49.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count23
Formal Charge0
Complexity415
SMILES
CC(=CCC1=C(C=CC(=C1)[C@@H]2CCC3=C(O2)C=C(C=C3)O)O)C
InChI
InChI=1S/C20H22O3/c1-13(2)3-4-15-11-16(6-9-18(15)22)19-10-7-14-5-8-17(21)12-20(14)23-19/h3,5-6,8-9,11-12,19,21-22H,4,7,10H2,1-2H3/t19-/m0/s1
InChIKey
HORNIGLAKNPZGF-IBGZPJMESA-N
Chemical Structure
2D Structure
2D structure of (2S)-7,4'-Dihydroxy-3'-Prenylflavan
CAS: 376361-96-5
CID: 10990534
Formula: C20H22O3
MW: 310.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight310.4
XLogP35
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass310.15689456
Monoisotopic Mass310.15689456
Topological Polar Surface Area49.7 Ų
Heavy Atom Count23
Formal Charge0
Complexity415
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes