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⚗️ Ingredient

Phytic acid

1
Clinical Trials
2
Meta-Analyses
0
PubMed References
📋 Sample Trials
NCT03030703
Cystatin SN Binds to Phytic Acid and Predicts Non-heme Iron Bioavailability
Completed
📊 Sample Meta-Analyses
CRD42021272001
Effectiveness of phytic acid as an etchant: a systematic review
A systematic review will be carried out to determine the effect of phytic acid a
CRD42022322188
Therapeutic proposals for the use of phytic acid in cardiovascular disorders: a Systematic Review
cardiovascular disorders
📚 Sample References
None linked yet.
⚗️ All Ingredient data fields for Phytic acid
⚗️ Identity
Name
Phytic acid
Aliases / Synonyms
83-86-3; Fytic acid; Phytate; Inositol hexaphosphate; Alkalovert; myo-inositol hexakisphosphate; myo-Inositol hexaphosphate; Alkovert; Phytine
🧪 Chemistry
Molecular Weight
660.0300
LogP
-3.1326
Drug-likeness
0.092
Oral Bioavailability
4.7810
H-Bond Acceptors
12
H-Bond Donors
12
Rotatable Bonds
12
🔬 Structures
Canonical SMILES
C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O
Isomeric SMILES
C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O
InChIKey
IMQLKJBTEOYOSI-UHFFFAOYSA-N
InChI
InChI=1S/C6H18O24P6/c7-31(8,9)25-1-2(26-32(10,11)12)4(28-34(16,17)18)6(30-36(22,23)24)5(29-35(19,20)21)3(1)27-33(13,14)15/h1-6H,(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)
🔗 External References
PubChem CID
CAS Number
NPASS
NPC188428
SymMap
1186
TCMID
31804; 17242
TCMSP
MOL005453
🔍 Raw view — every non-empty column on this row (32 fields)
name
Phytic acid
common names
83-86-3; Fytic acid; Phytate; Inositol hexaphosphate; Alkalovert; myo-inositol hexakisphosphate; myo-Inositol hexaphosphate; Alkovert; Phytine
herb ingredient id
HBIN039780
canonical smiles
C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O
isomeric smiles
C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O
inchi
InChI=1S/C6H18O24P6/c7-31(8,9)25-1-2(26-32(10,11)12)4(28-34(16,17)18)6(30-36(22,23)24)5(29-35(19,20)21)3(1)27-33(13,14)15/h1-6H,(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)
inchikey
IMQLKJBTEOYOSI-UHFFFAOYSA-N
mol wt
660.0300
num h acceptors
12
num h donors
12
mol logp
-3.1326
num rotatable bonds
12
drug likeness
0.092
ob score
4.7810
cas id
83-86-3
symmap mol id
1186
tcmid ingredient id
31804; 17242
tcmsp ingredient id
MOL005453
pubchem cid
890
npass id
NPC188428

📋 Clinical Trials

1 · subject of clinical study
NCT03030703 Cystatin SN Binds to Phytic Acid and Predicts Non-heme Iron Bioavailability
→ Iron-deficiency|Iron Deficiency Anemia

📊 Meta-Analyses

2 · systematic review
CRD42021272001 Effectiveness of phytic acid as an etchant: a systematic review
→ A systematic review will be carried out to determi
CRD42022322188 Therapeutic proposals for the use of phytic acid in cardiovascular disorders: a
→ cardiovascular disorders
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