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⚗️ Ingredient

Chlorophyllin

2
Clinical Trials
0
Meta-Analyses
0
PubMed References
Top Conditions Studied with Chlorophyllin
📋 Sample Trials
NCT05348239
Chlorophyllin Tablets for Urinary Bleeding Following Radiation Therapy for Cancers of Pelvic Organs
Unknown · Phase 2
NCT05856305
SCRT in TNT With or Without Chlorophyllin
Recruiting · Phase 2
📊 Sample Meta-Analyses
None linked yet.
📚 Sample References
None linked yet.
⚗️ All Ingredient data fields for Chlorophyllin
⚗️ Identity
Name
Chlorophyllin
Aliases / Synonyms
Chlorophyllin A; 15611-43-5; Magnesium Chlorophyllin; CCRIS 8573; DTXSID90872455; Derifil (TN); Magnesate(3-), ((7S,8S)-3-carboxy-5-(carboxymethyl)-13-ethenyl-18-ethyl-7,8-dihydro-2,8,12,17-tetramethyl-21H,23H-porphine-7-propanoato(5-)-kappa,N21,kappaN22,kappaN23,kappaN24)-, trihydrogen, (SP-4-2)-; Magnesate(3-), (18-carboxy-20-(carboxymethyl)-8-ethenyl-13-ethyl-2,3-dihydro-3,7,12,17-tetramethyl-21H,23H-porphine-2-propanoato(5-)-N(21),N(22),N(23),N(24))-, trihydrogen, (SP-...
🧪 Chemistry
Molecular Weight
618.9730
LogP
-0.8212
Drug-likeness
0.283
H-Bond Acceptors
9
Rotatable Bonds
7
🔬 Structures
Canonical SMILES
[H+].[H+].[H+].CCC1=C(C2=CC3=NC(=CC4=NC(=C(C5=NC(=C(C5=C([O-])[O-])C)C=C1[N-]2)CC(=O)[O-])C(C4C)CCC(=O)[O-])C(=C3C=C)C)C.[Mg+2]
Isomeric SMILES
[H+].[H+].[H+].CCC1=C(C2=CC3=NC(=CC4=NC(=C(C5=NC(=C(C5=C([O-])[O-])C)C=C1[N-]2)CC(=O)[O-])C(C4C)CCC(=O)[O-])C(=C3C=C)C)C.[Mg+2]
InChIKey
UVOXKYYHMDAWNK-UHFFFAOYSA-L
InChI
InChI=1S/C34H36N4O6.Mg/c1-7-19-15(3)23-12-25-17(5)21(9-10-29(39)40)32(37-25)22(11-30(41)42)33-31(34(43)44)18(6)26(38-33)14-28-20(8-2)16(4)24(36-28)13-27(19)35-23;/h7,12-14,17,21H,1,8-11H2,2-6H3,(H5,35,36,37,38,39,40,41,42,43,44);/q;+2/p-2
🔗 External References
PubChem CID
TCM-ID
12415
🔍 Raw view — every non-empty column on this row (27 fields)
name
Chlorophyllin
common names
Chlorophyllin A; 15611-43-5; Magnesium Chlorophyllin; CCRIS 8573; DTXSID90872455; Derifil (TN); Magnesate(3-), ((7S,8S)-3-carboxy-5-(carboxymethyl)-13-ethenyl-18-ethyl-7,8-dihydro-2,8,12,17-tetramethyl-21H,23H-porphine-7-propanoato(5-)-kappa,N21,kappaN22,kappaN23,kappaN24)-, trihydrogen, (SP-4-2)-; Magnesate(3-), (18-carboxy-20-(carboxymethyl)-8-ethenyl-13-ethyl-2,3-dihydro-3,7,12,17-tetramethyl-21H,23H-porphine-2-propanoato(5-)-N(21),N(22),N(23),N(24))-, trihydrogen, (SP-...
herb ingredient id
HBIN020383
canonical smiles
[H+].[H+].[H+].CCC1=C(C2=CC3=NC(=CC4=NC(=C(C5=NC(=C(C5=C([O-])[O-])C)C=C1[N-]2)CC(=O)[O-])C(C4C)CCC(=O)[O-])C(=C3C=C)C)C.[Mg+2]
isomeric smiles
[H+].[H+].[H+].CCC1=C(C2=CC3=NC(=CC4=NC(=C(C5=NC(=C(C5=C([O-])[O-])C)C=C1[N-]2)CC(=O)[O-])C(C4C)CCC(=O)[O-])C(=C3C=C)C)C.[Mg+2]
inchi
InChI=1S/C34H36N4O6.Mg/c1-7-19-15(3)23-12-25-17(5)21(9-10-29(39)40)32(37-25)22(11-30(41)42)33-31(34(43)44)18(6)26(38-33)14-28-20(8-2)16(4)24(36-28)13-27(19)35-23;/h7,12-14,17,21H,1,8-11H2,2-6H3,(H5,35,36,37,38,39,40,41,42,43,44);/q;+2/p-2
inchikey
UVOXKYYHMDAWNK-UHFFFAOYSA-L
mol wt
618.9730
num h acceptors
9
num h donors
0
mol logp
-0.8212
num rotatable bonds
7
drug likeness
0.283
tcm id ingredient id
12415
pubchem cid
123798

🏥 Linked Health Topics

2 · studied for these conditions (text bridge)

📋 Clinical Trials

2 · subject of clinical study
NCT05348239 Chlorophyllin Tablets for Urinary Bleeding Following Radiation Therapy for Cance
→ Hemorrhagic Cystitis
NCT05856305 SCRT in TNT With or Without Chlorophyllin
→ Rectal Neoplasms
How relationships are computed
  • Clinical Trials / Meta-Analyses / References: direct foreign-key link via subject_entity_id (Phase 2d wireup)
  • Formula ↔ Herbs: text bridge via formulas.herbs_in_pinyin matching herbs.pinyin_name
  • Herb ↔ Ingredient: empty — needs HERB_herb_ingredient import
  • Ingredient ↔ Target: empty — needs HERB_ingredient_target import
  • Target ↔ Disease: empty — needs HERB_target_disease import
  • Herb → Target → Disease (full chemical spine): awaiting Phase 2e link tables