Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Target: 7Links: 10
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 56943
- Core Entity Id
- 99954
- Source Entity Count
- 1
- Preferred Name
- 11-Deoxyglycyrrhetinic Acid
- Name En
- Pubchem Id
- 12305517
- Smiles Canonical
- CC1(C)[C@@H](O)CC[C@]2(C)[C@H]3CC=C4[C@@H]5C[C@@](C)(C(=O)O)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@H]12
- Molecular Formula
- C30H48O3
- Molecular Weight
- 456.3600
- Inchikey
- JZFSMVXQUWRSIW-BTJIZOSBSA-N
- Inchi
- InChI=1S/C30H48O3/c1-25(2)21-10-13-30(7)22(28(21,5)12-11-23(25)31)9-8-19-20-18-27(4,24(32)33)15-14-26(20,3)16-17-29(19,30)6/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,23-,26+,27-,28-,29+,30+/m0/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 7.5000
- Num H Donors
- 2
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 1
- Drug Likeness
- Polar Surface Area
- 57.5000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
11-Deoxyglycyrrhetinic Acid
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
11-Deoxyglycyrrhetinic Acid
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
11-Deoxyglycyrrhetinic acid
Role
preferred
Source
TCMBank
Preferred
Yes
Name
11-Deoxyglycyrrhetinic acid
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
光果甘草; 雷公藤
Role
TCM_name
Source
TCMBank
Preferred
No
Name
GUANG GUO GAN CAO; LEI GONG TENG; ZHANG GUO GAN CAO
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Licorice ; Common Threewingnut; Inflated Licorice
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
光果甘草; 雷公藤GUANG GUO GAN CAO; LEI GONG TENG; ZHANG GUO GAN CAOLicorice ; Common Threewingnut; Inflated Licorice
Cross References
Trusted external identifiers retained for this final record.
Sym Map
SMIT20318
Tcmbank
TCMBANKIN055670
Etcm Ingredient
11-Deoxyglycyrrhetinic acid
Itcmdb Generated
ITX-INGREDIENT-1A7D954F24EAITX-INGREDIENT-B1AE02D86306ITX-INGREDIENT-E16974ACAD55
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
Smiles
C1([H])([H])C([H])([H])[C@](C([H])([H])[H])([C@@]([H])(C([H])([H])C([H])=C([C@]([H])(C([H])([H])[C@@](C([H])([H])[H])(C(=O)O[H])C([H])([H])C2([H])[H])[C@@]2(C([H])([H])[H])C([H])([H])C3([H])[H])[C@@]3
4C([H])([H])[H])[C@@]4(C([H])([H])[H])C([H])([H])C5([H])[H])[C@]5([H])C(C([H])([H])[H])(C([H])([H])[H])[C@@]1([H])O[H]
Version
v2
Suppress
0
Tcm Name
光果甘草; 雷公藤
Tcm Name2
GUANG GUO GAN CAO; LEI GONG TENG; ZHANG GUO GAN CAO
Mol2 Path
/TCM_database/2003_3d_all/2170.mol2
Reference
2, 660, 670
Tcm Name En
Licorice ; Common Threewingnut; Inflated Licorice
Molecular Weight
456.360
Molecular Formula
C30H48O3
Molecular Formula
C30H48O3
Fda Maximum Daily Dose (Fdamdd)
0.959
Quantitative Estimate Of Drug Likeness（Qed）
0.409