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⚗️ Ingredient

(+)-leucocyanidin

0
Clinical Trials
0
Meta-Analyses
0
PubMed References
⚗️ All Ingredient data fields for (+)-leucocyanidin
⚗️ Identity
Name
(+)-leucocyanidin
Aliases / Synonyms
69256-15-1; (2R,3S,4R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,4,5,7-tetrol; 2,3-trans-3,4-trans-leucocyanidin; (2R,3S,4R)-leucocyanidin; CHEMBL126393; HY-119580B; DA-59434; CS-0136235; Q23419096
🧪 Chemistry
Molecular Weight
306.2700
LogP
1.0370
Drug-likeness
0.434
Oral Bioavailability
37.6060
H-Bond Acceptors
7
H-Bond Donors
6
Rotatable Bonds
1
🔬 Structures
Canonical SMILES
C1=CC(=C(C=C1C2C(C(C3=C(C=C(C=C3O2)O)O)O)O)O)O
Isomeric SMILES
C1=CC(=C(C=C1[C@@H]2[C@H]([C@@H](C3=C(C=C(C=C3O2)O)O)O)O)O)O
InChIKey
SBZWTSHAFILOTE-QLFBSQMISA-N
InChI
InChI=1S/C15H14O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,13-21H/t13-,14+,15-/m1/s1
🔗 External References
PubChem CID
CAS Number
NPASS
NPC278545
SymMap
8693
TCMSP
MOL007214
🔍 Raw view — every non-empty column on this row (33 fields)
name
(+)-leucocyanidin
common names
69256-15-1; (2R,3S,4R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,4,5,7-tetrol; 2,3-trans-3,4-trans-leucocyanidin; (2R,3S,4R)-leucocyanidin; CHEMBL126393; HY-119580B; DA-59434; CS-0136235; Q23419096
herb ingredient id
HBIN032997
canonical smiles
C1=CC(=C(C=C1C2C(C(C3=C(C=C(C=C3O2)O)O)O)O)O)O
isomeric smiles
C1=CC(=C(C=C1[C@@H]2[C@H]([C@@H](C3=C(C=C(C=C3O2)O)O)O)O)O)O
inchi
InChI=1S/C15H14O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,13-21H/t13-,14+,15-/m1/s1
inchikey
SBZWTSHAFILOTE-QLFBSQMISA-N
mol wt
306.2700
num h acceptors
7
num h donors
6
mol logp
1.0370
num rotatable bonds
1
drug likeness
0.434
ob score
37.6060
cas id
69256-15-1
symmap mol id
8693
tcmsp ingredient id
MOL007214
pubchem cid
155206
npass id
NPC278545
tcmsp mol id
MOL007214
tcmsp molecule id
7214
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