Lonchocarpan
PubChem CID
11256023
Structure
Molecular Formula
Synonyms
- Lonchocarpan
- 7,4'-Dihydroxy-2',3',6'-trimethoxyisoflavan
- 3-(4-hydroxy-2,3,6-trimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol
- SCHEMBL13660141
- CHEBI:187786
Molecular Weight
332.3 g/mol
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Dates
- Create:2006-10-26
- Modify:2025-02-01
Description
Lonchocarpan is a member of flavonoids and an ether.
Lonchocarpan has been reported in Philenoptera laxiflora with data available.
Chemical Structure Depiction
3-(4-hydroxy-2,3,6-trimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol
Computed by LexiChem 2.6.6 (PubChem release 2019.06.18)
InChI=1S/C18H20O6/c1-21-15-8-13(20)17(22-2)18(23-3)16(15)11-6-10-4-5-12(19)7-14(10)24-9-11/h4-5,7-8,11,19-20H,6,9H2,1-3H3
Computed by InChI 1.0.5 (PubChem release 2019.06.18)
PBWGVJJXWOVHFM-UHFFFAOYSA-N
Computed by InChI 1.0.5 (PubChem release 2019.06.18)
COC1=C(C(=C(C(=C1)O)OC)OC)C2CC3=C(C=C(C=C3)O)OC2
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C18H20O6
Computed by PubChem 2.1 (PubChem release 2019.06.18)
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
332.3 g/mol
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
XLogP3-AA
Property Value
2.9
Reference
Computed by XLogP3 3.0 (PubChem release 2019.06.18)
Property Name
Hydrogen Bond Donor Count
Property Value
2
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Hydrogen Bond Acceptor Count
Property Value
6
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Rotatable Bond Count
Property Value
4
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Exact Mass
Property Value
332.12598835 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Monoisotopic Mass
Property Value
332.12598835 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Topological Polar Surface Area
Property Value
77.4 Ų
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Heavy Atom Count
Property Value
24
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
405
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
1
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
1
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2019.01.04)
Polyketides [PK] -> Flavonoids [PK12] -> Isoflavans [PK1208]
Follow these links to do a live 2D search or do a live 3D search for this compound, sorted by annotation score. This section is deprecated (see here for details), but these live search links provide equivalent functionality to the table that was previously shown here.
Same Connectivity Count
Same Parent, Connectivity Count
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=PBWGVJJXWOVHFM-UHFFFAOYSA-N
The LOTUS Initiative for Open Natural Products Research: frozen dataset union wikidata (with metadata) | DOI:10.5281/zenodo.5794106
- ChEBI
- LOTUS - the natural products occurrence databaseLICENSEThe code for LOTUS is released under the GNU General Public License v3.0.https://lotus.nprod.net/Lonchocarpanhttps://www.wikidata.org/wiki/Q110081907LOTUS Treehttps://lotus.naturalproducts.net/
- LIPID MAPSLipid Classificationhttps://www.lipidmaps.org/
- Metabolomics Workbench
- Wikidatalonchocarpanhttps://www.wikidata.org/wiki/Q110081907
- PubChem
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
- PATENTSCOPE (WIPO)SID 391855848https://pubchem.ncbi.nlm.nih.gov/substance/391855848
CONTENTS