Structure Database (LMSD)
Common Name
6-Demethylsterigmatocystin
Systematic Name
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
3D model of 6-Demethylsterigmatocystin
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
String Representations
InChiKey (Click to copy)
RQQOEIJLJPCYJR-BWKAKNAASA-N
InChi (Click to copy)
InChI=1S/C17H10O6/c18-8-2-1-3-10-13(8)15(20)14-9(19)6-11-12(16(14)22-10)7-4-5-21-17(7)23-11/h1-7,17-19H/t7-,17+/m0/s1
SMILES (Click to copy)
C12OC3=C(C(O)=CC=C3)C(=O)C=1C(=CC1O[C@@]3([H])OC=C[C@@]3([H])C2=1)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
23
Rings
5
Aromatic Rings
3
Rotatable Bonds
0
Van der Waals Molecular Volume
239.78
Topological Polar Surface Area
93.27
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
6
logP
3.89
Molar Refractivity
81.32
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Created at
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Updated at
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