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Ingredient
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Gene Target
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Disease
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Evidence
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Plus 6,743 TCM formulas connecting herbs together
Subject Type: 🌿 Herbs ⚗️ Ingredients 📜 Formulas 🧬 Targets 🏥 Diseases
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⚗️ Ingredient

Mahuannin g

Open on HERB 2.0 ↗
0
Clinical Trials
0
Meta-Analyses
0
PubMed References
⚗️ All Ingredient data fields for Mahuannin g
⚗️ Identity
Name
Mahuannin g
🧪 Chemistry
Molecular Weight
542.4960
LogP
3.5905
Drug-likeness
0.163
Oral Bioavailability
56.9470
H-Bond Acceptors
10
H-Bond Donors
6
Rotatable Bonds
2
🔬 Structures
Canonical SMILES
C1C(C(OC2=C1C(=CC3=C2C4C5=C(C=C(C=C5OC(=O)C4(O3)C6=CC=C(C=C6)O)O)O)O)C7=CC=C(C=C7)O)O
Isomeric SMILES
C1[C@H]([C@H](OC2=C1C(=CC3=C2[C@H]4C5=C(C=C(C=C5OC(=O)[C@]4(O3)C6=CC=C(C=C6)O)O)O)O)C7=CC=C(C=C7)O)O
InChIKey
NUEOCEHYLFTBGI-XFWJURFQSA-N
InChI
InChI=1S/C30H22O10/c31-15-5-1-13(2-6-15)27-21(36)11-18-19(34)12-23-25(28(18)39-27)26-24-20(35)9-17(33)10-22(24)38-29(37)30(26,40-23)14-3-7-16(32)8-4-14/h1-10,12,21,26-27,31-36H,11H2/t21-,26-,27-,30+/m1/s1
🔗 External References
HERB DB
HBIN034274 ↗
PubChem CID
171336773 ↗
SymMap
10348
TCMSP
MOL009184
🔍 Raw view — every non-empty column on this row (30 fields)
name
Mahuannin g
herb ingredient id
HBIN034274
canonical smiles
C1C(C(OC2=C1C(=CC3=C2C4C5=C(C=C(C=C5OC(=O)C4(O3)C6=CC=C(C=C6)O)O)O)O)C7=CC=C(C=C7)O)O
isomeric smiles
C1[C@H]([C@H](OC2=C1C(=CC3=C2[C@H]4C5=C(C=C(C=C5OC(=O)[C@]4(O3)C6=CC=C(C=C6)O)O)O)O)C7=CC=C(C=C7)O)O
inchi
InChI=1S/C30H22O10/c31-15-5-1-13(2-6-15)27-21(36)11-18-19(34)12-23-25(28(18)39-27)26-24-20(35)9-17(33)10-22(24)38-29(37)30(26,40-23)14-3-7-16(32)8-4-14/h1-10,12,21,26-27,31-36H,11H2/t21-,26-,27-,30+/m1/s1
inchikey
NUEOCEHYLFTBGI-XFWJURFQSA-N
mol wt
542.4960
num h acceptors
10
num h donors
6
mol logp
3.5905
num rotatable bonds
2
drug likeness
0.163
ob score
56.9470
symmap mol id
10348
tcmsp ingredient id
MOL009184
pubchem cid
171336773
tcmsp mol id
MOL009184
tcmsp molecule id
9184

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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