Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Reference: 1Target: 12Links: 15
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 17841
- Core Entity Id
- 23004
- Source Entity Count
- 1
- Preferred Name
- Echinatin
- Name En
- Pubchem Id
- 6442675
- Smiles Canonical
- COC1=C(C=CC(=C1)O)C=CC(=O)C2=CC=C(C=C2)O
- Molecular Formula
- C16H14O4
- Molecular Weight
- 270.2840
- Inchikey
- QJKMIJNRNRLQSS-WEVVVXLNSA-N
- Inchi
- InChI=1S/C16H14O4/c1-20-16-10-14(18)8-4-12(16)5-9-15(19)11-2-6-13(17)7-3-11/h2-10,17-18H,1H3/b9-5+
- Isomeric Smiles
- COC1=C(C=CC(=C1)O)/C=C/C(=O)C2=CC=C(C=C2)O
- Cas Id
- 34221-41-5
- Ob Score
- 66.5840
- Mol Logp
- 3.0025
- Num H Donors
- 2
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 4
- Drug Likeness
- 0.6620
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Echinatin
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Echinatin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Echinatin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Echinatin
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Echinatin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
echinatin
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
棘甘草
Role
TCM_name
Source
TCMBank
Preferred
No
Name
JI GAN CAO
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Echinate Licorice*
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
(E)-3-(4-hydroxy-2-methoxyphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one
Role
alias
Source
HERB_v2
Preferred
No
Name
(E)-3-(4-hydroxy-2-methoxyphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-(4-hydroxy-2-methoxyphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one
Role
alias
Source
HERB_v2
Preferred
No
Name
3-(4-hydroxy-2-methoxyphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
34221-41-5
Role
alias
Source
HERB_v2
Preferred
No
Name
34221-41-5
Role
alias
Source
itcmdb_public
Preferred
No
Name
3816S4UA9R
Role
alias
Source
HERB_v2
Preferred
No
Name
3816S4UA9R
Role
alias
Source
itcmdb_public
Preferred
No
Name
4,4'-DIHYDROXY-2-METHOXYCHALCONE
Role
alias
Source
itcmdb_public
Preferred
No
Name
4,4'-DIHYDROXY-2-METHOXYCHALCONE
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL141530
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL141530
Role
alias
Source
HERB_v2
Preferred
No
Name
Echinantin
Role
alias
Source
itcmdb_public
Preferred
No
Name
Echinantin
Role
alias
Source
HERB_v2
Preferred
No
Name
Retrochalcone
Role
alias
Source
itcmdb_public
Preferred
No
Name
Retrochalcone
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-3816S4UA9R
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-3816S4UA9R
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
棘甘草JI GAN CAOEchinate Licorice*(E)-3-(4-hydroxy-2-methoxyphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one3-(4-hydroxy-2-methoxyphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one34221-41-53816S4UA9R4,4'-DIHYDROXY-2-METHOXYCHALCONECHEMBL141530EchinantinRetrochalconeUNII-3816S4UA9R
Cross References
Trusted external identifiers retained for this final record.
Cas
34221-41-5
Herb
HBIN024796
Npass
NPC247779
Tcmid
6684
Tcmsp
MOL004836
Sym Map
SMIT06685
Pub Chem
6442675
Tcmbank
TCMBANKIN043133
Etcm Ingredient
echinatin
Itcmdb Generated
ITX-INGREDIENT-53FA0A1B5654
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C16H14O4/c1-20-16-10-14(18)8-4-12(16)5-9-15(19)11-2-6-13(17)7-3-11/h2-10,17-18H,1H3/b9-5+
Mol Wt
270.284
Cas Id
34221-41-5
Mol Log P
3.002500000000002
Version
v1,v2
In Ch Ikey
QJKMIJNRNRLQSS-WEVVVXLNSA-N
Ob Score
66.58466.58401866.58401815
Suppress
0
Tcm Name
棘甘草
Tcm Name2
JI GAN CAO
Mol2 Path
/TCM_database/2007_3d_all/06685.mol2
Reference
2431
Num Hdonors
2
Tcm Name En
Echinate Licorice*
Drug Likeness
0.662
Num Hacceptors
4
Isomeric Smiles
COC1=C(C=CC(=C1)O)/C=C/C(=O)C2=CC=C(C=C2)O
Molecule Weight
270.3
Canonical Smiles
COC1=C(C=CC(=C1)O)C=CC(=O)C2=CC=C(C=C2)O
Herb Alias Names
34221-41-5Retrochalcone4,4'-DIHYDROXY-2-METHOXYCHALCONE3-(4-hydroxy-2-methoxyphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-oneEchinantin(E)-3-(4-hydroxy-2-methoxyphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-oneUNII-3816S4UA9R3816S4UA9RCHEMBL141530
Molecular Weight
270.090
Molecular Weight
270.28
Molecular Formula
C16H14O4
Molecular Formula
C16H14O4
Num Rotatable Bonds
4
Fda Maximum Daily Dose (Fdamdd)
0.566
Quantitative Estimate Of Drug Likeness（Qed）
0.662