Relationship Graph Explorer

Follow the connections

Every herb, ingredient, formula, gene target, and disease — connected through real research. Search, pick a subject, and navigate the graph in any direction.

🌿

Herb

→

→

→

→

🧪

Evidence

23,295

trials · metas · refs

Plus 6,743 TCM formulas connecting herbs together

Subject Type: 🌿 Herbs ⚗️ Ingredients 📜 Formulas 🧬 Targets 🏥 Diseases

Quick picks: Taxol Oxytocin Morphine (?)-nicotine Testosterone Melatonin Caffeine L-ascorbic acid Progesterone Coumarins

⚗️ Ingredient

Ingenol

Open on HERB 2.0 ↗

Clinical Trials

Meta-Analyses

PubMed References

Top Conditions Studied with Ingenol

Actinic keratosis (AKs) is the most frequent pre-malignant s 1 Actinic Keratosis 1 Actinic keratosis is a sun-related skin condition and is one 1

📋 Sample Trials

NCT01703078

Safety and Tolerability of Different Concentrations of an Ingenol Derivative Field Therapy in the Treatment of Actinic Keratosis

Completed · Phase 1

📊 Sample Meta-Analyses

CRD42019130809

Ingenol mebutate for the treatment of actinic keratoses: a systematic review of randomized controlled trials

Actinic keratosis (AKs) is the most frequent pre-malignant skin disease in the w

CRD42017067977

Efficacy and tolerability of ingenol mebutate in actinic keratosis of the face or scalp: systematic review and meta-analysis

Actinic keratosis is a sun-related skin condition and is one of the most common

📚 Sample References

None linked yet.

⚗️ All Ingredient data fields for Ingenol

⚗️ Identity

Name

Ingenol

Aliases / Synonyms

30220-46-3; (+)-Ingenol; (1aR,2S,5R,5aR,6S,8aS,9R,10aR)-5,5a,6-trihydroxy-4-(hydroxymethyl)-1,1,7,9-tetramethyl-1a,2,5,5a,6,9,10,10a-octahydro-1H-2,8a-methanocyclopenta[a]cyclopropa[e][10]annulen-11-one; UNII-IC77UZI9G8; IC77UZI9G8; CHEBI:5922; INGENOL [MI]; INGENOL [WHO-DD]; INGENOL, (+)-

🧪 Chemistry

Molecular Weight

348.4390

LogP

0.8152

Drug-likeness

0.526

Oral Bioavailability

27.3350

H-Bond Acceptors

H-Bond Donors

Rotatable Bonds

🔬 Structures

Canonical SMILES

CC1CC2C(C2(C)C)C3C=C(C(C4(C1(C3=O)C=C(C4O)C)O)O)CO

Isomeric SMILES

C[C@@H]1C[C@@H]2[C@@H](C2(C)C)[C@@H]3C=C([C@H]([C@]4([C@@]1(C3=O)C=C([C@@H]4O)C)O)O)CO

InChIKey

VEBVPUXQAPLADL-POYOOMFHSA-N

InChI

InChI=1S/C20H28O5/c1-9-7-19-10(2)5-13-14(18(13,3)4)12(17(19)24)6-11(8-21)16(23)20(19,25)15(9)22/h6-7,10,12-16,21-23,25H,5,8H2,1-4H3/t10-,12+,13-,14+,15+,16-,19+,20-/m1/s1

🔗 External References

HERB DB

HBIN030161 ↗

PubChem CID

442042 ↗

CAS Number

30220-46-3 ↗

SymMap

7015

TCMID

11055

TCMSP

MOL005225; MOL005226

🔍 Raw view — every non-empty column on this row (31 fields)

name

Ingenol

common names

herb ingredient id

HBIN030161

canonical smiles

CC1CC2C(C2(C)C)C3C=C(C(C4(C1(C3=O)C=C(C4O)C)O)O)CO

isomeric smiles

C[C@@H]1C[C@@H]2[C@@H](C2(C)C)[C@@H]3C=C([C@H]([C@]4([C@@]1(C3=O)C=C([C@@H]4O)C)O)O)CO

inchi

InChI=1S/C20H28O5/c1-9-7-19-10(2)5-13-14(18(13,3)4)12(17(19)24)6-11(8-21)16(23)20(19,25)15(9)22/h6-7,10,12-16,21-23,25H,5,8H2,1-4H3/t10-,12+,13-,14+,15+,16-,19+,20-/m1/s1

inchikey

VEBVPUXQAPLADL-POYOOMFHSA-N

mol wt

348.4390

num h acceptors

num h donors

mol logp

0.8152

num rotatable bonds

drug likeness

0.526

ob score

27.3350

cas id

30220-46-3

symmap mol id

7015

tcmid ingredient id

11055

tcmsp ingredient id

MOL005225; MOL005226

pubchem cid

442042

🏥 Linked Health Topics

1 · diseases via target pathways

Actinic Keratosis

disease

📋 Clinical Trials

1 · subject of clinical study

NCT01703078 Safety and Tolerability of Different Concentrations of an Ingenol Derivative Fie

→ Actinic Keratosis

📊 Meta-Analyses

2 · systematic review

CRD42019130809 Ingenol mebutate for the treatment of actinic keratoses: a systematic review of

→ Actinic keratosis (AKs) is the most frequent pre-m

CRD42017067977 Efficacy and tolerability of ingenol mebutate in actinic keratosis of the face o

→ Actinic keratosis is a sun-related skin condition

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