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Details

Stereochemistry ABSOLUTE
Molecular Formula 2C13H18O7.H2O
Molecular Weight 590.5709
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of GASTRODIN HEMIHYDRATE

SMILES

O.OC[C@H]1O[C@@H](OC2=CC=C(CO)C=C2)[C@H](O)[C@@H](O)[C@@H]1O.OC[C@H]3O[C@@H](OC4=CC=C(CO)C=C4)[C@H](O)[C@@H](O)[C@@H]3O

InChI

InChIKey=DKDQHXPYCLUBGO-GPJPVCCNSA-N
InChI=1S/2C13H18O7.H2O/c2*14-5-7-1-3-8(4-2-7)19-13-12(18)11(17)10(16)9(6-15)20-13;/h2*1-4,9-18H,5-6H2;1H2/t2*9-,10-,11+,12-,13-;/m11./s1

HIDE SMILES / InChI
Molecular Formula C13H18O7
Molecular Weight 286.2778
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED
Molecular Formula H2O
Molecular Weight 18.0153
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Description
Curator's Comment: Description was created based on several sources, including

Gastrodin is the main bioactive component of Gastrodia elata Blume (G. elata). Tian Ma Su Zhu She Ye (contains Gastrodin) It is an extensively used in the clinical practice of traditional Chinese medicine, to treat neurasthenia, neurasthenia syndrome, angioneurotic headache disorder, traumatic brain syndrome, vertigo meniere disease, medicinal with dizziness, vertigo, sudden deafness, vestibular neuronitis, vertebral basilar artery blood supply deficiency, etc. Apart from traditional claims, scientific reports support the antioxidative, anticonvulsive, antiinflammatory, antiepileptic, antiobesity, anxiolytic, and learning and memory improvements in activities of gastrodin

CNS Activity

CNS Active
4002
Curator's Comment: Gastrodin is CNS active in animals. Gastrodin is the main bioactive component of Gastrodia elata Blume (G. elata). It is an extensively used in the clinical practice of traditional Chinese medicine, to treat headache, migraine, dizziness, epilepsy, infantile convulsion, tetany and so on.

Originator

Chow, J. et al.
2
Sources: Chow J, Yang YB, Yang TR A new phenolic glucoside of Gastrodia elata Blume - gastrodin. Kexue Tongbao. 1979. 24:335-336
Curator's Comment: reference retrieved from https://books.google.ru/books?id=xmHwCAAAQBAJ&dq

Approval Year

Unknown
149124
Targets

Targets

Primary TargetPharmacologyConditionPotency
Inhibitor
8504
 1.94 µM [Kd]
Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
Primary
Basic research
Unknown

Approved Use

Unknown
Primary
Basic research
Unknown

Approved Use

Unknown
Primary
Basic research
Unknown

Approved Use

Unknown
Primary
Phase IV
63
Unknown

Approved Use

Unknown
Primary
Phase IV
63
Unknown

Approved Use

Unknown
Cmax

Cmax

ValueDoseCo-administeredAnalytePopulation
1484.55 ng/mL
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/20542476/
200 mg single, oral
dose: 200 mg
route of administration: Oral
experiment type: SINGLE
co-administered:
GASTRODIN plasma
Homo sapiens
population: HEALTHY
age: ADULT
sex: MALE
food status: UNKNOWN
AUC

AUC

ValueDoseCo-administeredAnalytePopulation
7210.26 ng × h/mL
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/20542476/
200 mg single, oral
dose: 200 mg
route of administration: Oral
experiment type: SINGLE
co-administered:
GASTRODIN plasma
Homo sapiens
population: HEALTHY
age: ADULT
sex: MALE
food status: UNKNOWN
T1/2

T1/2

ValueDoseCo-administeredAnalytePopulation
6.06 h
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/20542476/
200 mg single, oral
dose: 200 mg
route of administration: Oral
experiment type: SINGLE
co-administered:
GASTRODIN plasma
Homo sapiens
population: HEALTHY
age: ADULT
sex: MALE
food status: UNKNOWN
Doses

Doses

DosePopulationAdverse events​
40 mg/kg 1 times / day multiple, oral
Studied dose
Dose: 40 mg/kg, 1 times / day
Route: oral
Route: multiple
Dose: 40 mg/kg, 1 times / day
Sources:
https://pubmed.ncbi.nlm.nih.gov/21336736/
unhealthy, ADULT
Health Status: unhealthy
Age Group: ADULT
Sex: M+F
Food Status: UNKNOWN
Sources:
https://pubmed.ncbi.nlm.nih.gov/21336736/
Sources:
https://pubmed.ncbi.nlm.nih.gov/21336736/
PubMed

PubMed

TitleDatePubMed
Gastrodin stimulates anticancer immune response and represses transplanted H22 hepatic ascitic tumor cell growth: Involvement of NF-κB signaling activation in CD4+ T cells.
2013-06-15
Pharmacologically active compounds in the Anoectochilus and Goodyera species.
2008-04
[The production of gastrodin through biotransformation of p-hydroxybenzaldehyde by cell suspension culture of Datura stramonium].
2006-10
[Production of gastrodin through biotransformation of p-hydroxybenzaldehyde by cell suspension cultures of Datura tatula L].
2006-09
4-Hydroxycinnamoyl-CoA hydratase/lyase, an enzyme of phenylpropanoid cleavage from Pseudomonas, causes formation of C(6)-C(1) acid and alcohol glucose conjugates when expressed in hairy roots of Datura stramonium L.
2002-05
Simultaneous determination of p-hydroxybenzaldehyde, p-hydroxybenzyl alcohol, 4-(beta-D-glucopyranosyloxy)-benzyl alcohol, and sugars in Gastrodia elata blume measured as their acetylated derivatives by GC-MS.
2001-06
Gastrodin and p-hydroxybenzyl alcohol facilitate memory consolidation and retrieval, but not acquisition, on the passive avoidance task in rats.
1997-03
Effects of Gastrodia elata and its active constituents on scopolamine-induced amnesia in rats.
1996-08
Patents

Patents

EP2832371A1
2
EP2832371A4
2
WO/2013/143323A1
2
WO/2016/004704A1
2
WO/2016/112787A1
2

Sample Use Guides

In Vivo Use Guide
Gastrodin injection (unspecified dosage) is beneficial to old patients with refractory hypertension. Gastrodin (50 - 100 mg/kg, intraperitoneally) can decrease the volume of cerebral infarction, ameliorate the cerebral injury in the rats of cerebral ischemia-reperfusion.
Route of Administration: Parenteral
In Vitro Use Guide
Gastrodin could effectively promote proliferation of rat RSC96 Schwann cells in a dose- and time-dependent manner. The best performance was obtained at the concentration of 200μM.
Substance Class Chemical
Created
by admin
on Mon Mar 31 22:56:08 GMT 2025
Edited
by admin
on Mon Mar 31 22:56:08 GMT 2025
Record UNII
1673O5HJ9J
Record Status Validated (UNII)
Record Version
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Name Type Language
GASTRODIN HEMIHYDRATE
MI   WHO-DD  
Common Name English
GASTRODIN HEMIHYDRATE [MI]
Preferred Name English
Gastrodin hemihydrate [WHO-DD]
Common Name English
Code System Code Type Description
MERCK INDEX
m5678
Created by admin on Mon Mar 31 22:56:08 GMT 2025 , Edited by admin on Mon Mar 31 22:56:08 GMT 2025
PRIMARY Merck Index
FDA UNII
1673O5HJ9J
Created by admin on Mon Mar 31 22:56:08 GMT 2025 , Edited by admin on Mon Mar 31 22:56:08 GMT 2025
PRIMARY
PUBCHEM
72721057
Created by admin on Mon Mar 31 22:56:08 GMT 2025 , Edited by admin on Mon Mar 31 22:56:08 GMT 2025
PRIMARY
Related Record Type Details
Structure of GASTRODIN
ANHYDROUS->SOLVATE
Related Record Type Details
Structure of GASTRODIN
ACTIVE MOIETY
NIH
NCATS
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