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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
Truflex obp
0
Clinical Trials
0
Meta-Analyses
0
PubMed References
⚗️ All Ingredient data fields for Truflex obp
⚗️ Identity
Name
Truflex obp
Aliases / Synonyms
Butyl octyl phthalate; 84-78-6; Plasticizer OBP; Staflex BOP; Plasticizer BOP; Octyl butyl phthalate; 1,2-Benzenedicarboxylic acid, butyl octyl ester; PX 914; Phthalic acid, butyl octyl ester
🧪 Chemistry
Molecular Weight
334.4560
LogP
5.1608
Drug-likeness
0.391
Oral Bioavailability
43.7350
H-Bond Acceptors
4
Rotatable Bonds
12
🔬 Structures
Canonical SMILES
CCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCC
Isomeric SMILES
CCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCC
InChIKey
MURWRBWZIMXKGC-UHFFFAOYSA-N
InChI
InChI=1S/C20H30O4/c1-3-5-7-8-9-12-16-24-20(22)18-14-11-10-13-17(18)19(21)23-15-6-4-2/h10-11,13-14H,3-9,12,15-16H2,1-2H3
🔗 External References
HERB DB
PubChem CID
CAS Number
NPASS
NPC288463
SymMap
12241
TCMID
33498; 42399
TCMSP
MOL011319
🔍 Raw view — every non-empty column on this row (34 fields)
name
Truflex obp
common names
Butyl octyl phthalate; 84-78-6; Plasticizer OBP; Staflex BOP; Plasticizer BOP; Octyl butyl phthalate; 1,2-Benzenedicarboxylic acid, butyl octyl ester; PX 914; Phthalic acid, butyl octyl ester
herb ingredient id
HBIN047272
canonical smiles
CCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCC
isomeric smiles
CCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCC
inchi
InChI=1S/C20H30O4/c1-3-5-7-8-9-12-16-24-20(22)18-14-11-10-13-17(18)19(21)23-15-6-4-2/h10-11,13-14H,3-9,12,15-16H2,1-2H3
inchikey
MURWRBWZIMXKGC-UHFFFAOYSA-N
mol wt
334.4560
num h acceptors
4
num h donors
0
mol logp
5.1608
num rotatable bonds
12
drug likeness
0.391
ob score
43.7350
cas id
84-78-6
symmap mol id
12241
tcmid ingredient id
33498; 42399
tcmsp ingredient id
MOL011319
pubchem cid
66540
npass id
NPC288463
tcmsp mol id
MOL011319
tcmsp molecule id
11319
🌿 Related Herbs
1 · contains this compound🧬 Gene / Protein Targets
7 · directly binds these targetsMuscarinic acetylcholine receptor M1
Sodium-dependent noradrenaline transporter
Alpha-1B adrenergic receptor
Sodium channel protein type 5 subunit alpha
Beta-2 adrenergic receptor
CGMP-inhibited 3',5'-cyclic phosphodiesterase A
Sodium-dependent dopamine transporter
🏥 Linked Health Topics
28 · diseases via target pathwaysAlzheimer'S Disease
syndrome
Schizophrenia
disease
Bronchospasm (histamine induced)
disease
Cognitive deficits
disease
Depression
disease
Shy-Drager Syndrome
syndrome
Pain
phenotype
Sustained Ventricular Tachycardia
syndrome
Epileptic Seizures
phenotype
Analgesics
disease
Cardiac dysrhythmias
disease
Refractory partial epilepsy
disease
Asthma
syndrome
Glaucoma
syndrome
Inflammation
phenotype
Multiple Sclerosis
syndrome
Respiratory Distress Syndrome
syndrome
Cardiac arrhythmias
disease
Chronic obstructive pulmonary disease, unspecified
disease
Anxiety disorder, unspecified
disease
Hypertension
disease
Obstructive airway disease
disease
Skeletal muscle wasting
disease
Skeletal muscle weakness
disease
Vascular disease
disease
Chronic myeloid leukemia
disease
Bronchial asthma
disease
Parkinson's disease
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