Structure Database (LMSD)

Common Name
2-Hydroxychrysophanol
Systematic Name
Synonyms
LM ID
LMPK13040011
Formula
C15H10O5
Exact Mass
Calculate m/z
270.052825
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Aromatic polyketides [PK13]
Anthracenes and phenanthrenes [PK1304]

String Representations

InChiKey (Click to copy)
CQNVSNFEXPKHGW-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C15H10O5/c1-6-5-8-11(15(20)12(6)17)14(19)10-7(13(8)18)3-2-4-9(10)16/h2-5,16-17,20H,1H3
SMILES (Click to copy)
C12C=C(C(O)=C(O)C=1C(=O)C1=C(C=CC=C1O)C2=O)C

Other Databases

KEGG ID
C10379
HMDB ID
HMDB0033790
CHEBI ID
7635
PubChem CID
442759

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 3
Aromatic Rings 2
Rotatable Bonds 0
Van der Waals Molecular Volume 232.01
Topological Polar Surface Area 94.83
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 5
logP 1.89
Molar Refractivity 69.48

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Created at
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Updated at
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