LIPID MAPS

Structure Database (LMSD)

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Common Name

Acutifolin C

Systematic Name

2-(4-methoxyphenyl)-8,8-dimethyl-3,4-dihydro-2H-pyrano[2,3-f]chromene

Synonyms

LM ID

LMPK12020294

Formula

C₂₁H₂₂O₃

Exact Mass

Calculate m/z

322.156895

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

Classification

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

Pubmed ID: 11754597

String Representations

InChiKey (Click to copy)

JVXCNINFCRFDNV-UHFFFAOYSA-N

InChi (Click to copy)

InChI=1S/C21H22O3/c1-21(2)13-12-17-19(24-21)11-7-15-6-10-18(23-20(15)17)14-4-8-16(22-3)9-5-14/h4-5,7-9,11-13,18H,6,10H2,1-3H3

SMILES (Click to copy)

C12C=CC(C)(C)OC=1C=CC1CCC(C3=CC=C(OC)C=C3)OC2=1

Other Databases

PubChem CID

10925322

Calculated Physicochemical Properties

Heavy Atoms 24

Rings 4

Aromatic Rings 2

Rotatable Bonds 2

Van der Waals Molecular Volume 308.51

Topological Polar Surface Area 31.83

Hydrogen Bond Donors

Hydrogen Bond Acceptors 3

logP 5.23

Molar Refractivity 95.38

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Created at

2nd May 2025

Updated at