| Phytochemical Name : Pheophytin a |
| PCNDIDP0090 |
| Pubchem CID : 135398712 |
| Molecular formula: C55H74N4O5 |
| Canonical SMILES : CCC1=C(C2=NC1=CC3=C(C4=C(C(C(=C5C(C(C(=CC6=NC(=C2)C(=C6C)C=C)N5)C)CCC(=O)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C)C4=N3)C(=O)OC)O)C)C |
Synonymes : Pheophytin a|603-17-8|PLU1CG1U91|CHEBI:44898|EINECS 210-031-3|3-Phorbinepropanoic acid, 9-ethenyl-14-ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-, (2E,7R,11R)-3,7,11,15-tetramethyl-2-hexadecenyl ester, (3S,4S,21R)-|Phaeophytin A|3,7,11,15-Tetramethylhexadec-2-en-1-yl [3S-[3(2E,7S*,11S*),4,21]]-14-ethyl -21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-9-viny lphorbine-3-propionate|3-Phorbinepropanoic acid, 9-ethenyl-14-ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-, (2E,7R,11R)-3,7,11,15-tetramethyl-2-hexadecen-1-yl ester, (3S,4S,21R)-|3-Phorbinepropionic acid, 21-carboxy-14-ethyl-4,8,13,18-tetramethyl-20-oxo-9-vinyl-, 21-methyl 3-phytyl ester, (E)-|C55H74N4O5|pheophytin-a|C55-H74-N4-O5|3,7,11,15-Tetramethylhexadec-2-en-1-yl (3S-(3alpha(2E,7S*,11S*),4beta,21beta))-14-ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-9-vinylphorbine-3-propionate|3,7,11,15-tetramethylhexadec-2-en-1-yl [3S-[3alpha(2E,7S*,11S*),4beta,21beta]]-14-ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-9-vinylphorbine-3-propionate|3-PHORBINEPROPANOIC ACID, 9-ETHENYL-14-ETHYL-21-(METHOXYCARBONYL)-4,8,13,18-TETRAMETHYL-20-OXO-, 3,7,11,15-TETRAMETHYL-2-HEXADECENYL ESTER, (3S-(3.ALPHA.(2E,7S*,11S*),4.BETA.,21.BETA.))-|3-Phorbinepropanoic acid, 9-ethenyl-14-ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-, 3,7,11,15-tetramethyl-2-hexadecenyl ester, [3S-[3.alpha.(2E,7S*,11S*),4.beta.,21.beta.]]-|PHEOPHYTIN A5|UNII-PLU1CG1U91|CHLOROPHYLLIC ACID A|SCHEMBL416234|CHEMBL3349047|DTXSID50883461|J1.867.850K|C05797|Q3382146|W-109566|(7S,25R)-2,8alpha,12,17-Tetramethyl-13-vinyl-18-ethyl-25-(methoxycarbonyl)-26-oxo-3,5-ethano-7,8-dihydro-21H,23H-porphyrin-7beta-propionic acid (2E,7R,11R)-3,7,11,15-tetramethyl-2-hexadecenyl ester |
| Structure | |
| 3D structure | 2D structure |
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| Log Po/w (iLOGP) : 7.770 |
| Log Po/w (XLOGP3) : 11.720 |
| Log Po/w (WLOGP) : 11.430 |
| Log Po/w (MLOGP) : 4.960 |
| Log Po/w (SILICOS-IT) : 14.190 |
| Consensus Log Po/w : 10.010 |