Molecule

3-{16-ethenyl-11-ethyl-12,17,21,26-tetramethyl-4-oxo-7,23,24,25-tetraazahexacyclo[18.2.1.1?,?.1¹?,¹³.1¹?,¹?.0²,?]hexacosa-1,5(26),6,8,10,12,14,16,18,20(23)-decaen-22-yl}propanoic acid

AlkaPlorer ID: AK025802

Synonym: None

IUPAC Name: 3-[(21S,22S)-16-ethenyl-11-ethyl-4-hydroxy-12,17,21,26-tetramethyl-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,4,6,8(26),9,11,13(25),14,16,18(24),19-undecaen-22-yl]propanoic acid

Structure

SMILES: C=CC1=C2C=C3NC(=CC4=NC5=C(CC(=O)C5=C4C)C4=NC(=CC(=C1C)N2)[C@@H](C)[C@@H]4CCC(=O)O)C(CC)=C3C

InChI: InChI=1S/C33H34N4O3/c1-7-19-15(3)23-12-25-17(5)21(9-10-30(39)40)32(36-25)22-11-29(38)31-18(6)26(37-33(22)31)14-28-20(8-2)16(4)24(35-28)13-27(19)34-23/h7,12-14,17,21,34-35H,1,8-11H2,2-6H3,(H,39,40)/t17-,21-/m0/s1

InChIKey: RZECWDZMTHMQDD-UWJYYQICSA-N

Reference

Isolation of Pyropheophorbide a from the Leaves of Atalantia monophylla (ROXB.) CORR. (Rutaceae) as a Possible Antiviral Active Principle against Herpes Simplex Virus Type 2.

LOTUS: LTS0260736

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Citrus japonica	Citrus	Rutaceae	Sapindales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 534.6600000000003

TPSA？: 111.73

MolLogP？: 6.945040000000006

Number of H-Donors: 3

Number of H-Acceptors: 4

RingCount: 6

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi