Structure Database (LMSD)
Common Name
Acutifolin B
Systematic Name
7-methoxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)-3,4-dihydro-2H-chromene
Synonyms
3D model of Acutifolin B
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Brosimum acutifolium
(#1835378)
Magnoliopsida
(#3398)
Acutifolins A-F, a new flavan-derived constituent and five new flavans from Brosimum acutifolium.,
J Nat Prod, 2001
J Nat Prod, 2001
Pubmed ID:
11754597
String Representations
InChiKey (Click to copy)
YVUIGWVIBZIHEC-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C22H26O3/c1-15(2)5-12-19-21(24-4)14-9-17-8-13-20(25-22(17)19)16-6-10-18(23-3)11-7-16/h5-7,9-11,14,20H,8,12-13H2,1-4H3
SMILES (Click to copy)
C1(C/C=C(\C)/C)=C(OC)C=CC2CCC(C3=CC=C(OC)C=C3)OC1=2
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
25
Rings
3
Aromatic Rings
2
Rotatable Bonds
5
Van der Waals Molecular Volume
338.17
Topological Polar Surface Area
29.76
Hydrogen Bond Donors
Hydrogen Bond Acceptors
3
logP
5.28
Molar Refractivity
100.81
Admin
Created at
2nd May 2025
Updated at
2nd May 2025