Structure Database (LMSD)
Common Name
Dehydrotoxicarol
Systematic Name
Synonyms
- 7a,13a-Didehydrotoxicarol
3D model of Dehydrotoxicarol
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)
HDDUSYQWBVKRGV-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C23H20O7/c1-23(2)6-5-11-15(30-23)8-13(24)20-21(25)19-12-7-16(26-3)17(27-4)9-14(12)28-10-18(19)29-22(11)20/h5-9,24H,10H2,1-4H3
SMILES (Click to copy)
C12OC(C)(C)C=CC=1C1OC3COC4=C(C=C(OC)C(OC)=C4)C=3C(=O)C=1C(O)=C2
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
30
Rings
5
Aromatic Rings
3
Rotatable Bonds
2
Van der Waals Molecular Volume
349.73
Topological Polar Surface Area
91.50
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
7
logP
5.45
Molar Refractivity
111.38
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Updated at
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