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Herb
6,826
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⚗️
Ingredient
44,598
→
🧬
Gene Target
15,695
→
🏥
Disease
30,467
→
🧪
Evidence
23,295
trials · metas · refs
Plus 6,743 TCM formulas connecting herbs together
⚗️ Ingredient
Mandenol
0
Clinical Trials
0
Meta-Analyses
0
PubMed References
⚗️ All Ingredient data fields for Mandenol
⚗️ Identity
Name
Mandenol
Aliases / Synonyms
ETHYL LINOLEATE; 544-35-4; Linoleic acid ethyl ester; ethyl (9Z,12Z)-octadeca-9,12-dienoate; Ethyl linolate; Linoleic acid, ethyl ester; Ethyl cis,cis-9,12-octadecadienoate; Ethyl linoleate, pure; Ethyl linoleate [JAN]
🧪 Chemistry
Molecular Weight
308.5060
LogP
6.3630
Drug-likeness
0.2
Oral Bioavailability
41.9960
H-Bond Acceptors
2
Rotatable Bonds
15
🔬 Structures
Canonical SMILES
CCCCCC=CCC=CCCCCCCCC(=O)OCC
Isomeric SMILES
CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC
InChIKey
FMMOOAYVCKXGMF-MURFETPASA-N
InChI
InChI=1S/C20H36O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2/h8-9,11-12H,3-7,10,13-19H2,1-2H3/b9-8-,12-11-
🔗 External References
HERB DB
PubChem CID
CAS Number
NPASS
NPC28779
SymMap
3899
TCMID
34895; 33886; 15932
TCMSP
MOL001494
🔍 Raw view — every non-empty column on this row (34 fields)
name
Mandenol
common names
ETHYL LINOLEATE; 544-35-4; Linoleic acid ethyl ester; ethyl (9Z,12Z)-octadeca-9,12-dienoate; Ethyl linolate; Linoleic acid, ethyl ester; Ethyl cis,cis-9,12-octadecadienoate; Ethyl linoleate, pure; Ethyl linoleate [JAN]
herb ingredient id
HBIN034389
canonical smiles
CCCCCC=CCC=CCCCCCCCC(=O)OCC
isomeric smiles
CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC
inchi
InChI=1S/C20H36O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2/h8-9,11-12H,3-7,10,13-19H2,1-2H3/b9-8-,12-11-
inchikey
FMMOOAYVCKXGMF-MURFETPASA-N
mol wt
308.5060
num h acceptors
2
num h donors
0
mol logp
6.3630
num rotatable bonds
15
drug likeness
0.2
ob score
41.9960
cas id
544-35-4
symmap mol id
3899
tcmid ingredient id
34895; 33886; 15932
tcmsp ingredient id
MOL001494
pubchem cid
5282184
npass id
NPC28779
tcmsp mol id
MOL001494
tcmsp molecule id
1494
🌿 Related Herbs
1 · contains this compound🧬 Gene / Protein Targets
3 · directly binds these targetsNCOA2
Gene NCOA2
Prostaglandin G/H synthase 1
Prostaglandin G/H synthase 2
🏥 Linked Health Topics
30 · diseases via target pathwaysCardiovascular disease, unspecified
disease
Chronic inflammatory diseases
disease
Alzheimer'S Disease
syndrome
Arthritis
syndrome
Renal Cell Carcinoma
disease
Carpal Tunnel Syndrome
syndrome
Endometriosis
syndrome
Inflammation
phenotype
Meningioma
disease
Myocardial Infarction
syndrome
Peutz-Jeghers Syndrome
syndrome
Malignant Mesothelioma
disease
Colorectal cancer
disease
Cancer, unspecific
disease
Lung Cancer
disease
Osteoarthritis
disease
Breast cancer
disease
Prostate cancer
disease
Rheumatoid arthritis, unspecified
disease
Analgesics
disease
Stroke
disease
Inflammatory diseases
disease
Bladder cancer
disease
Abdominal aortic aneurysm
disease
Adenomatous polyposis
disease
Carcinoma in situ, unspecified
disease
Dysmenorrhea, unspecified
disease
Genitourinary tumors
disease
Gestational hypertension
disease
Oropharyngeal squamous cell carcinoma
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