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: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 45029
- Core Entity Id
- 88040
- Source Entity Count
- 1
- Preferred Name
- 5-o-methyl licoricidin
- Name En
- Pubchem Id
- 196831
- Smiles Canonical
- COc1cc2c(c(OC)c1CC=C(C)C)C[C@H](c1ccc(O)c(CC=C(C)C)c1O)CO2
- Molecular Formula
- C27H34O5
- Molecular Weight
- 438.6000
- Inchikey
- GDAAEAXMNLVRCZ-SFHVURJKSA-N
- Inchi
- InChI=1S/C27H34O5/c1-16(2)7-9-20-23(28)12-11-19(26(20)29)18-13-22-25(32-15-18)14-24(30-5)21(27(22)31-6)10-8-17(3)4/h7-8,11-12,14,18,28-29H,9-10,13,15H2,1-6H3/t18-/m0/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- 3.6829
- Mol Logp
- 6.8000
- Num H Donors
- 2
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 7
- Drug Likeness
- Polar Surface Area
- 68.2000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
5-O-Methyl licoricidin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
5-O-Methyl licoricidin
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
甘草
Role
TCM_name
Source
TCMBank
Preferred
No
Name
GAN CAO
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Ural Licorice
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
129314-37-0
Role
alias
Source
TCMBank
Preferred
No
Name
4-[(3R)-5,7-dimethoxy-6-(3-methylbut-2-enyl)-3-chromanyl]-2-(3-methylbut-2-enyl)benzene-1,3-diol
Role
alias
Source
TCMBank
Preferred
No
Name
4-[(3R)-5,7-dimethoxy-6-(3-methylbut-2-enyl)chroman-3-yl]-2-(3-methylbut-2-enyl)benzene-1,3-diol
Role
alias
Source
TCMBank
Preferred
No
Name
4-[(3R)-5,7-dimethoxy-6-(3-methylbut-2-enyl)chroman-3-yl]-2-(3-methylbut-2-enyl)resorcinol
Role
alias
Source
TCMBank
Preferred
No
Name
4-[(R)-5,7-Dimethoxy-6-(3-methyl-but-2-enyl)-1-benzopyran-3-yl]-2-((E)-3-methyl-but-2-enyl)-benzene-1,3-diol
Role
alias
Source
TCMBank
Preferred
No
Name
5-O-Methyllicoricidin
Role
alias
Source
TCMBank
Preferred
No
Name
AIDS-096024
Role
alias
Source
TCMBank
Preferred
No
Name
Licoriisoflavan A
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
甘草GAN CAOUral Licorice129314-37-04-[(3R)-5,7-dimethoxy-6-(3-methylbut-2-enyl)-3-chromanyl]-2-(3-methylbut-2-enyl)benzene-1,3-diol4-[(3R)-5,7-dimethoxy-6-(3-methylbut-2-enyl)chroman-3-yl]-2-(3-methylbut-2-enyl)benzene-1,3-diol4-[(3R)-5,7-dimethoxy-6-(3-methylbut-2-enyl)chroman-3-yl]-2-(3-methylbut-2-enyl)resorcinol4-[(R)-5,7-Dimethoxy-6-(3-methyl-but-2-enyl)-1-benzopyran-3-yl]-2-((E)-3-methyl-but-2-enyl)-benzene-1,3-diol5-O-MethyllicoricidinAIDS-096024Licoriisoflavan A
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN011867
Tcmbank
TCMBANKIN017068TCMBANKIN058791
Etcm Ingredient
5-O-Methyl licoricidin
Itcmdb Generated
ITX-INGREDIENT-86C531BBF580ITX-INGREDIENT-A0E468C5EA8A
Attributes
Merged source attributes and domain-specific metadata.
Smiles
C([H])([H])([H])Oc1c([H])c(OC([H])([H])[C@@]([H])(c2c([H])c([H])c(O[H])c(C([H])([H])\C([H])=C(/C([H])([H])[H])\C([H])([H])[H])c2O[H])C3([H])[H])c3c(OC([H])([H])[H])c1C([H])([H])\C([H])=C(/C([H])([H])[
H])\C([H])([H])[H]CC(=CCC1=C(C=CC(=C1O)C2CC3=C(C(=C(C=C3OC2)OC)CC=C(C)C)OC)O)C
Ob Score
3.682926
Tcm Name
甘草
Tcm Name2
GAN CAO
Mol2 Path
/TCM_database/2003_3d_all/5742.mol2
Reference
2
Tcm Name En
Ural Licorice
Molecular Weight
438.240
Molecular Weight
438.6 g/mol
Molecular Formula
C27H34O5
Molecular Formula
C27H34O5
Fda Maximum Daily Dose (Fdamdd)
0.941
Quantitative Estimate Of Drug Likeness（Qed）
0.531