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Plus 6,743 TCM formulas connecting herbs together
⚗️ Ingredient

(+)-catechin

0
Clinical Trials
0
Meta-Analyses
0
PubMed References
⚗️ All Ingredient data fields for (+)-catechin
⚗️ Identity
Name
(+)-catechin
Aliases / Synonyms
Cianidanol; CATECHIN; 154-23-4; Catechuic acid; Cyanidanol; Catechinic acid; D-Catechin; Catergen; Cianidol
🧪 Chemistry
Molecular Weight
290.2710
LogP
1.5461
Drug-likeness
0.51
Oral Bioavailability
54.8260
H-Bond Acceptors
6
H-Bond Donors
5
Rotatable Bonds
1
🔬 Structures
Canonical SMILES
C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O
Isomeric SMILES
C1[C@@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O
InChIKey
PFTAWBLQPZVEMU-DZGCQCFKSA-N
InChI
InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m0/s1
🔗 External References
PubChem CID
CAS Number
NPASS
NPC219876
HIT
C1241
TCMID
38747; 33706; 3308; 23537; 36192; 3309; 34089
TCMSP
MOL000492
TCM-ID
11774; 5141
🔍 Raw view — every non-empty column on this row (35 fields)
name
(+)-catechin
common names
Cianidanol; CATECHIN; 154-23-4; Catechuic acid; Cyanidanol; Catechinic acid; D-Catechin; Catergen; Cianidol
herb ingredient id
HBIN019921
canonical smiles
C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O
isomeric smiles
C1[C@@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O
inchi
InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m0/s1
inchikey
PFTAWBLQPZVEMU-DZGCQCFKSA-N
mol wt
290.2710
num h acceptors
6
num h donors
5
mol logp
1.5461
num rotatable bonds
1
drug likeness
0.51
ob score
54.8260
cas id
154-23-4
tcmid ingredient id
38747; 33706; 3308; 23537; 36192; 3309; 34089
tcmsp ingredient id
MOL000492
tcm id ingredient id
11774; 5141
pubchem cid
9064
npass id
NPC219876
hit id
C1241
tcmsp mol id
MOL000492
tcmsp molecule id
492
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: ACTIVE — direct link via herb_ingredients
  • Ingredient ↔ Target: ACTIVE — direct link via ingredient_targets
  • Target ↔ Disease: ACTIVE — direct link via target_health_topics
  • Herb → Target → Disease (full chemical spine): ACTIVE — joins all three link tables