Structure Database (LMSD)
Common Name
Hypericin
Systematic Name
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
3D model of Hypericin
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
BTXNYTINYBABQR-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C30H16O8/c1-7-3-9(31)19-23-15(7)16-8(2)4-10(32)20-24(16)28-26-18(12(34)6-14(36)22(26)30(20)38)17-11(33)5-13(35)21(29(19)37)25(17)27(23)28/h3-6,31-36H,1-2H3
SMILES (Click to copy)
C12C3=C4C(=O)C5C(=CC(C)=C(C6=C(C)C=C(O)C7C(C8C(=CC(O)=C(C3=C(O)C=C4O)C=8C=1C6=7)O)=O)C2=5)O
References
Calculated Physicochemical Properties
Heavy Atoms
38
Rings
8
Aromatic Rings
4
Rotatable Bonds
0
Van der Waals Molecular Volume
415.80
Topological Polar Surface Area
155.52
Hydrogen Bond Donors
6
Hydrogen Bond Acceptors
8
logP
4.59
Molar Refractivity
135.10
Admin
Created at
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Updated at
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