Structure Database (LMSD)

O O HO OH OH O HO OH OH
Common Name
Mahuannin E
Systematic Name
Synonyms
LM ID
LMPK12030016
Formula
C30H24O9
Exact Mass
Calculate m/z
528.142035
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Proanthocyanidins [PK1203]

String Representations

InChiKey (Click to copy)
BHGCRZWUKWPRDM-NKDQTGOISA-N
InChi (Click to copy)
InChI=1S/C30H24O9/c31-16-5-1-14(2-6-16)28-23(36)11-19-21(34)12-25-27(29(19)37-28)20-13-30(39-25,15-3-7-17(32)8-4-15)38-24-10-18(33)9-22(35)26(20)24/h1-10,12,20,23,28,31-36H,11,13H2/t20-,23-,28-,30-/m1/s1
SMILES (Click to copy)
C1(O)=CC2O[C@]3(OC4C=C(O)C5C[C@@H](O)[C@@H](C6=CC=C(O)C=C6)OC=5C=4[C@H](C3)C=2C(O)=C1)C1C=CC(O)=CC=1

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Ephedra sinica (#33152)
Gnetopsida (#3372)
Dimeric proanthocyanidins from the roots of Ephedra sinica.,
Planta Med, 2008
Pubmed ID: 18975262

Calculated Physicochemical Properties

Heavy Atoms 39
Rings 7
Aromatic Rings 4
Rotatable Bonds 2
Van der Waals Molecular Volume 444.87
Topological Polar Surface Area 155.28
Hydrogen Bond Donors 6
Hydrogen Bond Acceptors 9
logP 4.70
Molar Refractivity 137.08

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Created at
21st Mar 2024
Updated at
21st Mar 2024