Structure Database (LMSD)
Common Name
Melannin
Systematic Name
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
3D model of Melannin
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
String Representations
InChiKey (Click to copy)
HUGUGFBIYQBLCS-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C16H12O5/c1-20-15-8-14-12(6-13(15)18)11(7-16(19)21-14)9-2-4-10(17)5-3-9/h2-8,17-18H,1H3
SMILES (Click to copy)
C12C=C(OC)C(O)=CC=1C(C1C=CC(O)=CC=1)=CC(=O)O2
References
Calculated Physicochemical Properties
Heavy Atoms
21
Rings
3
Aromatic Rings
3
Rotatable Bonds
2
Van der Waals Molecular Volume
238.41
Topological Polar Surface Area
79.90
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
5
logP
3.78
Molar Refractivity
77.91
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Created at
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Updated at
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