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Plus 6,743 TCM formulas connecting herbs together
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⚗️ Ingredient

Chlorophyl

Open on HERB 2.0 ↗
2
Clinical Trials
0
Meta-Analyses
0
PubMed References
Top Conditions Studied with Chlorophyl
Rectal Neoplasms 1 Diffuse Glioma|Radionecrosis of Brain|High Grade Glioma|Glio 1
📋 Sample Trials
NCT05856305
SCRT in TNT With or Without Chlorophyllin
Recruiting · Phase 2
NCT06016452
A Study of Chlorophyllin for the Management of Brain Radio-necrosis in Patients With Diffuse Glioma
Recruiting · Phase 2
📊 Sample Meta-Analyses
None linked yet.
📚 Sample References
None linked yet.
⚗️ All Ingredient data fields for Chlorophyl
⚗️ Identity
Name
Chlorophyl
Aliases / Synonyms
Chlorophyll a'; Chlorophylls; 22309-13-3; Magnesium;16-ethenyl-11-ethyl-3-methoxycarbonyl-12,17,21,26-tetramethyl-22-[3-oxo-3-[(E)-3,7,11,15-tetramethylhexadec-2-enoxy]propyl]-23,24,25-triaza-7-azanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),4,8(26),9,11,13(25),14,16,18(24),19-undecaen-4-olate; Magnesium, (3,7,11,15-tetramethyl-2-hexadecenyl 9-ethenyl-14-ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-3-phorbinepropanoato(2-)-N23,N24,N25,N26)-, ...
🧪 Chemistry
Molecular Weight
893.5090
LogP
9.6696
Drug-likeness
0.073
H-Bond Acceptors
8
Rotatable Bonds
20
🔬 Structures
Canonical SMILES
CCC1=C(C2=NC1=CC3=C(C4=C(C(C(=C4[N-]3)C5=NC(=CC6=NC(=C2)C(=C6C)C=C)C(C5CCC(=O)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C)C)C(=O)OC)[O-])C)C.[Mg+2]
Isomeric SMILES
CCC1=C(C2=NC1=CC3=C(C4=C(C(C(=C4[N-]3)C5=NC(=CC6=NC(=C2)C(=C6C)C=C)C(C5CCC(=O)OC/C=C(\C)/CCCC(C)CCCC(C)CCCC(C)C)C)C(=O)OC)[O-])C)C.[Mg+2]
InChIKey
ATNHDLDRLWWWCB-WNRKZQPVSA-M
InChI
InChI=1S/C55H73N4O5.Mg/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42;/h13,26,28-33,37,41,51H,1,14-25,27H2,2-12H3,(H-,56,57,58,59,61);/q-1;+2/p-1/b34-26+;
🔗 External References
HERB DB
HBIN020380 ↗
PubChem CID
6449992 ↗
CAS Number
11006-34-1 ↗
TCMID
23321
TCM-ID
9856
🔍 Raw view — every non-empty column on this row (29 fields)
name
Chlorophyl
common names
Chlorophyll a'; Chlorophylls; 22309-13-3; Magnesium;16-ethenyl-11-ethyl-3-methoxycarbonyl-12,17,21,26-tetramethyl-22-[3-oxo-3-[(E)-3,7,11,15-tetramethylhexadec-2-enoxy]propyl]-23,24,25-triaza-7-azanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),4,8(26),9,11,13(25),14,16,18(24),19-undecaen-4-olate; Magnesium, (3,7,11,15-tetramethyl-2-hexadecenyl 9-ethenyl-14-ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-3-phorbinepropanoato(2-)-N23,N24,N25,N26)-, ...
herb ingredient id
HBIN020380
canonical smiles
CCC1=C(C2=NC1=CC3=C(C4=C(C(C(=C4[N-]3)C5=NC(=CC6=NC(=C2)C(=C6C)C=C)C(C5CCC(=O)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C)C)C(=O)OC)[O-])C)C.[Mg+2]
isomeric smiles
CCC1=C(C2=NC1=CC3=C(C4=C(C(C(=C4[N-]3)C5=NC(=CC6=NC(=C2)C(=C6C)C=C)C(C5CCC(=O)OC/C=C(\C)/CCCC(C)CCCC(C)CCCC(C)C)C)C(=O)OC)[O-])C)C.[Mg+2]
inchi
InChI=1S/C55H73N4O5.Mg/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42;/h13,26,28-33,37,41,51H,1,14-25,27H2,2-12H3,(H-,56,57,58,59,61);/q-1;+2/p-1/b34-26+;
inchikey
ATNHDLDRLWWWCB-WNRKZQPVSA-M
mol wt
893.5090
num h acceptors
8
num h donors
0
mol logp
9.6696
num rotatable bonds
20
drug likeness
0.073
cas id
11006-34-1
tcmid ingredient id
23321
tcm id ingredient id
9856
pubchem cid
6449992

🏥 Linked Health Topics

1 · studied for these conditions (text bridge)
Rectal Neoplasms
group

📋 Clinical Trials

2 · subject of clinical study
NCT05856305 SCRT in TNT With or Without Chlorophyllin
→ Rectal Neoplasms
NCT06016452 A Study of Chlorophyllin for the Management of Brain Radio-necrosis in Patients
→ Diffuse Glioma|Radionecrosis of Brain|High Grade G
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