Molecule

Rhizocarpic acid; (S,E)-form

AlkaPlorer ID: AK312433

Synonym: None

IUPAC Name: methyl 2-[[2-(3-hydroxy-5-oxo-4-phenylfuran-2-ylidene)-2-phenylacetyl]amino]-3-phenylpropanoate

Structure

SMILES: COC(=O)C(CC1=CC=CC=C1)NC(=O)C(=C1OC(=O)C(C2=CC=CC=C2)=C1O)C1=CC=CC=C1

InChI: InChI=1S/C28H23NO6/c1-34-27(32)21(17-18-11-5-2-6-12-18)29-26(31)23(20-15-9-4-10-16-20)25-24(30)22(28(33)35-25)19-13-7-3-8-14-19/h2-16,21,30H,17H2,1H3,(H,29,31)

InChIKey: DKDGWAKCXBFTMM-UHFFFAOYSA-N

Reference

PubChem CID: 75669719

CAS: (2S)-2-[[(2Z)-2-(3-hydroxy-5-oxo-4-phenyl-2-furanylidene)-1-oxo-2-phenylethyl]amino]-3-phenylpropanoic acid methyl ester

COCONUT: CNP0200788.3

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
None	Calicium	Caliciaceae	Caliciales	Lecanoromycetes	Ascomycota	Fungi	Eukaryota
None	Rhizocarpon	Rhizocarpaceae	Rhizocarpales	Lecanoromycetes	Ascomycota	Fungi	Eukaryota

Properties Information

Molecule Weight: 469.49300000000017

TPSA？: 101.93

MolLogP？: 3.824300000000002

Number of H-Donors: 2

Number of H-Acceptors: 6

RingCount: 4

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi