Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 34539
- Core Entity Id
- 41586
- Source Entity Count
- 1
- Preferred Name
- Taraxinic acid
- Name En
- Pubchem Id
- 157010073
- Smiles Canonical
- CC1=CC2C(CCC(=CCC1)C(=O)O)C(=C)C(=O)O2
- Molecular Formula
- C15H18O4
- Molecular Weight
- 262.3050
- Inchikey
- KZWCOWFKXMTBRH-IMDCMVKOSA-N
- Inchi
- InChI=1S/C15H18O4/c1-9-4-3-5-11(14(16)17)6-7-12-10(2)15(18)19-13(12)8-9/h5,8,12-13H,2-4,6-7H2,1H3,(H,16,17)/b9-8-,11-5+
- Isomeric Smiles
- C/C/1=C/C2C(CC/C(=C\CC1)/C(=O)O)C(=C)C(=O)O2
- Cas Id
- Ob Score
- Mol Logp
- 2.6155
- Num H Donors
- 1
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.4480
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Taraxinic Acid
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Taraxinic Acid
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Taraxinic acid
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Taraxinic acid
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
taraxinic acid
Role
preferred
Source
TCMBank
Preferred
Yes
Name
75911-33-0
Role
alias
Source
itcmdb_public
Preferred
No
Name
75911-33-0
Role
alias
Source
HERB_v2
Preferred
No
Name
TARAXINICACID
Role
alias
Source
HERB_v2
Preferred
No
Name
TARAXINICACID
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
75911-33-0TARAXINICACID
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN045548
Tcmid
33793
Sym Map
SMIT27019
Pub Chem
1570100739921439
Tcmbank
TCMBANKIN035347
Itcmdb Generated
ITX-INGREDIENT-E746314BA4A9
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C15H18O4/c1-9-4-3-5-11(14(16)17)6-7-12-10(2)15(18)19-13(12)8-9/h5,8,12-13H,2-4,6-7H2,1H3,(H,16,17)/b9-8-,11-5+
Mol Wt
262.3049999999999
Smiles
CC1=CC2C(CCC(=CCC1)C(=O)O)C(=C)C(=O)O2
Mol Log P
2.615500000000001
Version
v2
In Ch Ikey
KZWCOWFKXMTBRH-IMDCMVKOSA-N
Suppress
0
Num Hdonors
1
Drug Likeness
0.448
Num Hacceptors
3
Isomeric Smiles
C/C/1=C/C2C(CC/C(=C\CC1)/C(=O)O)C(=C)C(=O)O2
Canonical Smiles
CC1=CC2C(CCC(=CCC1)C(=O)O)C(=C)C(=O)O2
Herb Alias Names
TARAXINICACID75911-33-0
Molecular Weight
262.3 g/mol
Molecular Formula
C15H18O4
Molecular Formula
C15H18O4
Num Rotatable Bonds
1