Structure Database (LMSD)
Common Name
(-)-Sparticarpin
Systematic Name
Synonyms
3D model of (-)-Sparticarpin
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Viridiplantae
(#33090)
Flavonoid imported from http://metabolomics.jp/
String Representations
InChiKey (Click to copy)
QXSOYBBYHNOUSH-SJCJKPOMSA-N
InChi (Click to copy)
InChI=1S/C17H16O5/c1-19-15-6-11-13(7-16(15)20-2)21-8-12-10-4-3-9(18)5-14(10)22-17(11)12/h3-7,12,17-18H,8H2,1-2H3/t12-,17-/m0/s1
SMILES (Click to copy)
C1(OC)=CC2OC[C@@]3([H])C4C=CC(O)=CC=4O[C@@]3([H])C=2C=C1OC
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
22
Rings
4
Aromatic Rings
2
Rotatable Bonds
2
Van der Waals Molecular Volume
259.53
Topological Polar Surface Area
61.29
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
5
logP
3.30
Molar Refractivity
79.75
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Created at
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Updated at
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