Structure Database (LMSD)

Common Name
Elaeocyanidin
Systematic Name
(6aR)-5,6aβ,7,12aβ-Tetrahydro-5,5-dimethyl-3-methoxy[2]benzopyrano[4,3-b][1]benzopyran-2,4,8,10-tetrol
Synonyms
LM ID
LMPK12020153
Formula
C19H20O7
Exact Mass
Calculate m/z
360.120905
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavans, Flavanols and Leucoanthocyanidins [PK1202]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Viridiplantae (#33090)
Flavonoid imported from http://metabolomics.jp/
Elaeodendron (#123414)
Magnoliopsida (#3398)
Flavonoids from Elaeodendron balae root bark,
Phytochemistry, 1985

String Representations

InChiKey (Click to copy)
UEYVPAAGIXRIKF-WMLDXEAASA-N
InChi (Click to copy)
InChI=1S/C19H20O7/c1-19(2)15-10(6-12(22)18(24-3)16(15)23)17-14(26-19)7-9-11(21)4-8(20)5-13(9)25-17/h4-6,14,17,20-23H,7H2,1-3H3/t14-,17+/m0/s1
SMILES (Click to copy)
C12C=C(O)C=C(O)C=1C[C@@H]1OC(C)(C)C3C(O)=C(OC)C(O)=CC=3[C@H]1O2

Other Databases

METABOLOMICS ID
FL63PTNM0002
PubChem CID
21676388

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 4
Aromatic Rings 2
Rotatable Bonds 1
Van der Waals Molecular Volume 311.71
Topological Polar Surface Area 112.75
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 7
logP 3.11
Molar Refractivity 91.58

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Created at
-
Updated at
18th May 2025