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Ingredient
44,598
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Gene Target
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Disease
30,467
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Plus 6,743 TCM formulas connecting herbs together
⚗️ Ingredient
Leucopelargonidin
0
Clinical Trials
0
Meta-Analyses
0
PubMed References
⚗️ All Ingredient data fields for Leucopelargonidin
⚗️ Identity
Name
Leucopelargonidin
Aliases / Synonyms
520-17-2; 2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromene-3,4,5,7-tetrol; 3,4,4',5,7-Flavanpentol; 2H-Benzopyran-3,4,5,7-tetrol, 3,4-dihydro-2-(4-hydroxyphenyl)-; 2-(4-hydroxyphenyl)chromane-3,4,5,7-tetraol; SCHEMBL18196214; DTXSID20966331; CHEBI:190342; 3,4,5,7,4'-pentahydroxyflavan
🧪 Chemistry
Molecular Weight
290.2710
LogP
1.3314
Drug-likeness
0.542
Oral Bioavailability
57.9700
H-Bond Acceptors
6
H-Bond Donors
5
Rotatable Bonds
1
🔬 Structures
Canonical SMILES
C1=CC(=CC=C1C2C(C(C3=C(C=C(C=C3O2)O)O)O)O)O
Isomeric SMILES
C1=CC(=CC=C1C2C(C(C3=C(C=C(C=C3O2)O)O)O)O)O
InChIKey
FSVMLWOLZHGCQX-UHFFFAOYSA-N
InChI
InChI=1S/C15H14O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,13-20H
🔗 External References
HERB DB
PubChem CID
CAS Number
NPASS
NPC300933
SymMap
794
TCMID
12712
TCMSP
MOL010788
🔍 Raw view — every non-empty column on this row (34 fields)
name
Leucopelargonidin
common names
520-17-2; 2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromene-3,4,5,7-tetrol; 3,4,4',5,7-Flavanpentol; 2H-Benzopyran-3,4,5,7-tetrol, 3,4-dihydro-2-(4-hydroxyphenyl)-; 2-(4-hydroxyphenyl)chromane-3,4,5,7-tetraol; SCHEMBL18196214; DTXSID20966331; CHEBI:190342; 3,4,5,7,4'-pentahydroxyflavan
herb ingredient id
HBIN033006
canonical smiles
C1=CC(=CC=C1C2C(C(C3=C(C=C(C=C3O2)O)O)O)O)O
isomeric smiles
C1=CC(=CC=C1C2C(C(C3=C(C=C(C=C3O2)O)O)O)O)O
inchi
InChI=1S/C15H14O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,13-20H
inchikey
FSVMLWOLZHGCQX-UHFFFAOYSA-N
mol wt
290.2710
num h acceptors
6
num h donors
5
mol logp
1.3314
num rotatable bonds
1
drug likeness
0.542
ob score
57.9700
cas id
520-17-2
symmap mol id
794
tcmid ingredient id
12712
tcmsp ingredient id
MOL010788
pubchem cid
3286789
npass id
NPC300933
tcmsp mol id
MOL010788
tcmsp molecule id
10788
🌿 Related Herbs
1 · contains this compound🧬 Gene / Protein Targets
5 · directly binds these targetsProstaglandin G/H synthase 1
Estrogen receptor
Prostaglandin G/H synthase 2
Heat shock protein HSP 90
Beta-lactamase
🏥 Linked Health Topics
30 · diseases via target pathwaysCardiovascular disease, unspecified
disease
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disease
Myocardial Infarction
syndrome
Osteoporosis
syndrome
Osteoporosis, unspecified
disease
Neurodegenerative diseases
disease
Breast cancer
disease
Brain injury
disease
Coronary atherosclerosis
disease
Endocrine independent cancer
disease
Postmenopausal symptoms
disease
Migraine
disease
Cardiovascular disease
disease
Alzheimer'S Disease
syndrome
Arthritis
syndrome
Renal Cell Carcinoma
disease
Carpal Tunnel Syndrome
syndrome
Endometriosis
syndrome
Inflammation
phenotype
Meningioma
disease
Peutz-Jeghers Syndrome
syndrome
Malignant Mesothelioma
disease
Colorectal cancer
disease
Cancer, unspecific
disease
Lung Cancer
disease
Osteoarthritis
disease
Prostate cancer
disease
Rheumatoid arthritis, unspecified
disease
Analgesics
disease
Stroke
disease
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_pinyinmatchingherbs.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