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(2S) -4'-Hydroxy-7-methoxyflavan

CAT: 0931-T83561-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T83561-02Size:50 mg
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CAS Number
27348-54-5
Bioactivity
(2S) -4'-Hydroxy-7-methoxyflavan, a flavan, exhibited substantial cytotoxicity against human leukemic Molt 4 cells [1].
Smiles
O(C)C=1C=C2C(CC[C@H](O2)C3=CC=C(O)C=C3)=CC1
Molecular Formula
C16H16O3
Molecular Weight
256.3
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

4'-Hydroxy-7-methoxyflavan

4'-Hydroxy-7-methoxyflavan has been reported in Phanera retusa, Pancratium maritimum, and other organisms with data available.

CAS Number27348-54-5
PubChem CID185609
IUPAC Name4-[(2S)-7-methoxy-3,4-dihydro-2H-chromen-2-yl]phenol
Molecular FormulaC16H16O3
Molecular Weight256.30
XLogP3.4
Topological Polar Surface Area38.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count19
Formal Charge0
Complexity286
SMILES
COC1=CC2=C(CC[C@H](O2)C3=CC=C(C=C3)O)C=C1
InChI
InChI=1S/C16H16O3/c1-18-14-8-4-12-5-9-15(19-16(12)10-14)11-2-6-13(17)7-3-11/h2-4,6-8,10,15,17H,5,9H2,1H3/t15-/m0/s1
InChIKey
HQIYVJDLRVEGDX-HNNXBMFYSA-N
Chemical Structure
2D Structure
2D structure of 4'-Hydroxy-7-methoxyflavan
CAS: 27348-54-5
CID: 185609
Formula: C16H16O3
MW: 256.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight256.30
XLogP33.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass256.109944368
Monoisotopic Mass256.109944368
Topological Polar Surface Area38.7 Ų
Heavy Atom Count19
Formal Charge0
Complexity286
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

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