Structure Database (LMSD)
Common Name
Campylohirtin A
Systematic Name
1,3-dimethoxy-8,9-dihydroxy-2-prenylcoumestan
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
3D model of Campylohirtin A
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
Campylotropis hirtella
(#1108177)
Magnoliopsida
(#3398)
A new prenylated coumestan from the roots of Campylotropis hirtella.,
J Asian Nat Prod Res, 2020
J Asian Nat Prod Res, 2020
Pubmed ID:
32614662
String Representations
InChiKey (Click to copy)
NFEHRHUXLKSMJX-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C22H22O7/c1-10(2)5-6-11-15(26-3)9-17-19(20(11)27-4)21-18(22(25)29-17)12-7-13(23)14(24)8-16(12)28-21/h5,7-9,18,21,23-24H,6H2,1-4H3
SMILES (Click to copy)
C1(OC)C=C2OC(=O)C3C4C=C(O)C(O)=CC=4OC3C2=C(OC)C=1C/C=C(/C)\C
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
29
Rings
4
Aromatic Rings
2
Rotatable Bonds
4
Van der Waals Molecular Volume
358.33
Topological Polar Surface Area
98.59
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
7
logP
3.76
Molar Refractivity
104.20
Admin
Created at
3rd Jul 2020
Updated at
3rd Jul 2020