Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 20454
- Core Entity Id
- 25917
- Source Entity Count
- 1
- Preferred Name
- Glyasperin m
- Name En
- Pubchem Id
- 101664572
- Smiles Canonical
- CC1(C=CC2=C(O1)C=CC(=C2O)C3COC4=C(C3=O)C(=CC(=C4)O)OC)C
- Molecular Formula
- C21H20O6
- Molecular Weight
- 368.3850
- Inchikey
- ZIDJFMZHWCAFPM-UHFFFAOYSA-N
- Inchi
- InChI=1S/C21H20O6/c1-21(2)7-6-13-15(27-21)5-4-12(19(13)23)14-10-26-17-9-11(22)8-16(25-3)18(17)20(14)24/h4-9,14,22-23H,10H2,1-3H3
- Isomeric Smiles
- CC1(C=CC2=C(O1)C=CC(=C2O)C3COC4=C(C3=O)C(=CC(=C4)O)OC)C
- Cas Id
- Ob Score
- Mol Logp
- 3.6495
- Num H Donors
- 2
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.8420
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Glyasperin M
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Glyasperin m
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Glyasperin m
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
粗毛甘草
Role
TCM_name
Source
TCMBank
Preferred
No
Name
CU MAO GAN CAO
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Hirsute Licorice
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
粗毛甘草CU MAO GAN CAOHirsute Licorice
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN028085
Npass
NPC98695
Tcmid
8802
Pub Chem
101664572
Tcmbank
TCMBANKIN039911
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C21H20O6/c1-21(2)7-6-13-15(27-21)5-4-12(19(13)23)14-10-26-17-9-11(22)8-16(25-3)18(17)20(14)24/h4-9,14,22-23H,10H2,1-3H3
Mol Wt
368.3850000000001
Mol Log P
3.649500000000003
In Ch Ikey
ZIDJFMZHWCAFPM-UHFFFAOYSA-N
Tcm Name
粗毛甘草
Tcm Name2
CU MAO GAN CAO
Mol2 Path
/TCM_database/2007_3d_all/08803.mol2
Reference
2431
Num Hdonors
2
Tcm Name En
Hirsute Licorice
Drug Likeness
0.842
Num Hacceptors
6
Isomeric Smiles
CC1(C=CC2=C(O1)C=CC(=C2O)C3COC4=C(C3=O)C(=CC(=C4)O)OC)C
Canonical Smiles
CC1(C=CC2=C(O1)C=CC(=C2O)C3COC4=C(C3=O)C(=CC(=C4)O)OC)C
Molecular Weight
368.4 g/mol
Molecular Formula
C21H20O6
Num Rotatable Bonds
2