Structure Database (LMSD)
Common Name
Uvaricin
Systematic Name
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
3D model of Uvaricin
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Uvaria acuminata
(#672960)
Magnoliopsida
(#3398)
Desacetyluvaricin from Uvaria accuminata, configuration of uvaricin at C-36.,
J Nat Prod, 1985
J Nat Prod, 1985
Pubmed ID:
3840199
Uvaria acuminata
(#672960)
Magnoliopsida
(#3398)
Uvaretin, a new antitumor agent from Uvaria acuminata (Annonaceae).,
J Org Chem, 1976
J Org Chem, 1976
Pubmed ID:
1262991
String Representations
InChiKey (Click to copy)
JQOYPOSGHDJFLI-NRKBUBGYSA-N
InChi (Click to copy)
InChI=1S/C39H68O7/c1-4-5-6-7-8-15-18-21-24-35(44-31(3)40)36-27-28-38(46-36)37-26-25-34(45-37)33(41)23-20-17-14-12-10-9-11-13-16-19-22-32-29-30(2)43-39(32)42/h29-30,33-38,41H,4-28H2,1-3H3/t30-,33?,34?,35?,36?,37?,38?/m0/s1
SMILES (Click to copy)
C1C(C2OC(C(O)CCCCCCCCCCCCC3C(=O)O[C@@H](C)C=3)CC2)OC(C(OC(C)=O)CCCCCCCCCC)C1
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
46
Rings
3
Aromatic Rings
0
Rotatable Bonds
27
Van der Waals Molecular Volume
699.79
Topological Polar Surface Area
97.50
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
7
logP
11.46
Molar Refractivity
187.20
Admin
Created at
6th Jun 2020
Updated at
6th Jun 2020