Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 4Ingredient: 1Target: 2Links: 6
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 827
- Core Entity Id
- 4113
- Source Entity Count
- 1
- Preferred Name
- 24-hydroxyglycyrrhetic acid
- Name En
- Pubchem Id
- 101280182
- Smiles Canonical
- CC12CCC(CC1C3=CC(=O)C4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)CO)O)C)(C)C(=O)O
- Molecular Formula
- C30H46O5
- Molecular Weight
- 486.6930
- Inchikey
- GSEPOEIKWTXTHS-UHFFFAOYSA-N
- Inchi
- InChI=1S/C30H46O5/c1-25-11-12-26(2,24(34)35)16-19(25)18-15-20(32)23-27(3)9-8-22(33)28(4,17-31)21(27)7-10-30(23,6)29(18,5)14-13-25/h15,19,21-23,31,33H,7-14,16-17H2,1-6H3,(H,34,35)
- Isomeric Smiles
- CC12CCC(CC1C3=CC(=O)C4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)CO)O)C)(C)C(=O)O
- Cas Id
- Ob Score
- 24.1680
- Mol Logp
- 5.3850
- Num H Donors
- 3
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.4870
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
24-Hydroxyglycyrrhetic Acid
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
24-Hydroxyglycyrrhetic acid
Role
preferred
Source
TCMBank
Preferred
Yes
Name
24-Hydroxyglycyrrhetic acid
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
24-hydroxyglycyrrhetic acid
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
24-hydroxyglycyrrhetic acid
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(2S,4aS,6bR,10S,12aS,14bR)-10-hydroxy-9-(hydroxymethyl)-2,4a,6a,6b,9,12a-hexamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid
Role
alias
Source
TCMBank
Preferred
No
Name
10-hydroxy-9-(hydroxymethyl)-2,4a,6a,6b,9,12a-hexamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
10-hydroxy-9-(hydroxymethyl)-2,4a,6a,6b,9,12a-hexamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
24-hydroxyglycyrrheticacid
Role
alias
Source
TCMBank
Preferred
No
Name
AC1NSWIY
Role
alias
Source
TCMBank
Preferred
No
Name
CHEBI:169122
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:169122
Role
alias
Source
itcmdb_public
Preferred
No
Name
光果甘草
Role
TCM_name
Source
TCMBank
Preferred
No
Name
GUANG GUO GAN CAO
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Licorice
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(2S,4aS,6bR,10S,12aS,14bR)-10-hydroxy-9-(hydroxymethyl)-2,4a,6a,6b,9,12a-hexamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid10-hydroxy-9-(hydroxymethyl)-2,4a,6a,6b,9,12a-hexamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid24-hydroxyglycyrrheticacidAC1NSWIYCHEBI:169122光果甘草GUANG GUO GAN CAOLicorice
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN004409
Tcmid
1015231197
Tcmsp
MOL004963
Sym Map
SMIT01072
Pub Chem
10128018219814101
Tcmbank
TCMBANKIN024852TCMBANKIN053081
Etcm Ingredient
24-Hydroxyglycyrrhetic acid
Itcmdb Generated
ITX-INGREDIENT-F7E1133FF301ITX-INGREDIENT-CC325DC38540
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C30H46O5/c1-25-11-12-26(2,24(34)35)16-19(25)18-15-20(32)23-27(3)9-8-22(33)28(4,17-31)21(27)7-10-30(23,6)29(18,5)14-13-25/h15,19,21-23,31,33H,7-14,16-17H2,1-6H3,(H,34,35)
Mol Wt
486.6930000000003
Smiles
CC12CCC(CC1C3=CC(=O)C4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)CO)O)C)(C)C(=O)O
Mol Log P
5.385000000000007
Version
v1,v2
In Ch Ikey
GSEPOEIKWTXTHS-UHFFFAOYSA-N
Ob Score
24.1679624.1679603624.168
Suppress
0
Tcm Name
光果甘草
Tcm Name2
GUANG GUO GAN CAO
Mol2 Path
/TCM_database/2003_3d_all/4064.mol2
Reference
2, 660
Num Hdonors
3
Tcm Name En
Licorice
Drug Likeness
0.487
Num Hacceptors
4
Isomeric Smiles
CC12CCC(CC1C3=CC(=O)C4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)CO)O)C)(C)C(=O)O
Molecule Weight
486.76
Canonical Smiles
CC12CCC(CC1C3=CC(=O)C4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)CO)O)C)(C)C(=O)O
Herb Alias Names
CHEBI:16912210-hydroxy-9-(hydroxymethyl)-2,4a,6a,6b,9,12a-hexamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid
Molecular Weight
486.330
Molecular Weight
486.7 g/mol
Molecule Formula
C30H46O5
Molecular Formula
C30H46O5
Molecular Formula
C30H46O5
Molecular Formula
C30H46O5
Num Rotatable Bonds
2
Fda Maximum Daily Dose (Fdamdd)
0.326
Quantitative Estimate Of Drug Likeness（Qed）
0.446