Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 43056
- Core Entity Id
- 86067
- Source Entity Count
- 1
- Preferred Name
- (E)-[12]-shogaol
- Name En
- Pubchem Id
- 9975813
- Smiles Canonical
- CCCCCCCCCCC/C=C/C(=O)CCc1ccc(O)c(OC)c1
- Molecular Formula
- C23H36O3
- Molecular Weight
- 361.0000
- Inchikey
- WCQFXNQALHURHS-BUHFOSPRSA-N
- Inchi
- InChI=1S/C23H36O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-21(24)17-15-20-16-18-22(25)23(19-20)26-2/h13-14,16,18-19,25H,3-12,15,17H2,1-2H3/b14-13+
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 7.0000
- Num H Donors
- 1
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 15
- Drug Likeness
- Polar Surface Area
- 47.0000
- Molecular Volume
- 279.0000
- Alogp
- 7.0000
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(E)-[12]-shogaol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(e)-[12]-shogaol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
炮姜
Role
TCM_name
Source
TCMBank
Preferred
No
Name
Roasted Ginger
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
7.止血药(25-26)
Role
level1_name
Source
TCMBank
Preferred
No
Name
hemostatic medicinal
Role
level1_name_en
Source
TCMBank
Preferred
No
Name
4.温经止血药(3-3)
Role
level2_name
Source
TCMBank
Preferred
No
Name
meridian-warming hemostatic medicinal
Role
level2_name_en
Source
TCMBank
Preferred
No
Name
12-shogaol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
生姜
Role
TCM_name
Source
TCMBank
Preferred
No
Name
Zingiber officinale
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
1.解表药(28-28)
Role
level1_name
Source
TCMBank
Preferred
No
Name
exterior-releasing medicinal
Role
level1_name_en
Source
TCMBank
Preferred
No
Name
1.发散风寒药(16-16)
Role
level2_name
Source
TCMBank
Preferred
No
Name
wind-cold-dispersing
Role
level2_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
炮姜Roasted Ginger7.止血药(25-26)hemostatic medicinal4.温经止血药(3-3)meridian-warming hemostatic medicinal12-shogaol生姜Zingiber officinale1.解表药(28-28)exterior-releasing medicinal1.发散风寒药(16-16)wind-cold-dispersing
Cross References
Trusted external identifiers retained for this final record.
Tcmbank
TCMBANKIN010142TCMBANKIN020903
Etcm Ingredient
(e)-[12]-shogaol
Itcmdb Generated
ITX-INGREDIENT-2D0F22055318ITX-INGREDIENT-FFE03E1F80C6ITX-INGREDIENT-6CEF0A602820
Attributes
Merged source attributes and domain-specific metadata.
Alog P
7
Smiles
c1([H])c([H])c(C([H])([H])C([H])([H])C(=O)\C([H])=C([H])\C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])c([H])c(OC([H])([H
])[H])c1O[H]
37 Flag
37
C Count
23
N Count
0
O Count
3
P Count
0
S Count
0
Tcm Name
炮姜
Mol2 Path
/TCM_database/7.止血药(25-26)/4.温经止血药(3-3)/炮姜/structure/(E)-[12]-shogaol.mol2
Tcm Name En
Roasted Ginger
Level1 Name
7.止血药(25-26)
Level2 Name
4.温经止血药(3-3)
Num H Donors
1
Level1 Name En
hemostatic medicinal
Level2 Name En
meridian-warming hemostatic medicinal
Num H Acceptors
3
Molecular Weight
360.270
Molecular Volume
279
Molecular Weight
361
Molecular Formula
C23H36O3
Molecular Formula
C23H36O3
Num Rotatable Bonds
15
Molecular Polar Surface Area
47
Fda Maximum Daily Dose (Fdamdd)
0.103
Quantitative Estimate Of Drug Likeness（Qed）
0.291