Structure Database (LMSD)

Common Name
Hinokiflavone
Systematic Name
Synonyms
LM ID
LMPK12040004
Status
Active
Exact Mass
Calculate m/z
538.09
Formula
C30H18O10
Show lipids differing only in stereochemistry/bond geometry
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MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Biflavonoids and polyflavonoids [PK1204]

String Representations

InChiKey (Click to copy)
DFAXUEHGJFANJA-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C30H18O10/c31-16-5-1-14(2-6-16)24-12-21(35)28-22(36)13-26(29(37)30(28)40-24)38-18-7-3-15(4-8-18)23-11-20(34)27-19(33)9-17(32)10-25(27)39-23/h1-13,31-33,36-37H
SMILES (Click to copy)
C1(O)=CC2OC(C3C=CC(OC4=C(O)C5OC(C6C=CC(O)=CC=6)=CC(=O)C=5C(O)=C4)=CC=3)=CC(=O)C=2C(O)=C1

References

Other Databases

KEGG ID
C10057
PubChem CID
42607509

Calculated Physicochemical Properties

Heavy Atoms 40
Rings 6
Aromatic Rings 6
Rotatable Bonds 4
Van der Waals Molecular Volume 433.66
Topological Polar Surface Area 170.80
Hydrogen Bond Donors 5
Hydrogen Bond Acceptors 10
logP 7.35
Molar Refractivity 144.45

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Created at
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Updated at
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