Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Ingredient: 1Meta-analysis: 3Target: 12Links: 15
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 14839
- Core Entity Id
- 19659
- Source Entity Count
- 1
- Preferred Name
- Clavulanic acid
- Name En
- Pubchem Id
- 5280980
- Smiles Canonical
- C1C2N(C1=O)C(C(=CCO)O2)C(=O)O
- Molecular Formula
- C8H9NO5
- Molecular Weight
- 199.1620
- Inchikey
- HZZVJAQRINQKSD-PBFISZAISA-N
- Inchi
- InChI=1S/C8H9NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)/b4-1-/t6-,7-/m1/s1
- Isomeric Smiles
- C1[C@@H]2N(C1=O)[C@H](/C(=C/CO)/O2)C(=O)O
- Cas Id
- Ob Score
- Mol Logp
- -1.0956
- Num H Donors
- 2
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.5510
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Clavulanic acid
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Clavulanic acid
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
clavulanic acid
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(2R,3Z,5R)-3-(2-hydroxyethylidene)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
(2R,3Z,5R)-3-(2-hydroxyethylidene)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
58001-44-8
Role
alias
Source
itcmdb_public
Preferred
No
Name
58001-44-8
Role
alias
Source
HERB_v2
Preferred
No
Name
Acide clavulanique
Role
alias
Source
itcmdb_public
Preferred
No
Name
Acide clavulanique
Role
alias
Source
HERB_v2
Preferred
No
Name
Acido clavulanico
Role
alias
Source
itcmdb_public
Preferred
No
Name
Acido clavulanico
Role
alias
Source
HERB_v2
Preferred
No
Name
Antibiotic MM 14151
Role
alias
Source
HERB_v2
Preferred
No
Name
Antibiotic MM 14151
Role
alias
Source
itcmdb_public
Preferred
No
Name
Clavulanate
Role
alias
Source
HERB_v2
Preferred
No
Name
Clavulanate
Role
alias
Source
itcmdb_public
Preferred
No
Name
Clavulansaeure
Role
alias
Source
HERB_v2
Preferred
No
Name
Clavulansaeure
Role
alias
Source
itcmdb_public
Preferred
No
Name
MM 14151
Role
alias
Source
HERB_v2
Preferred
No
Name
MM 14151
Role
alias
Source
itcmdb_public
Preferred
No
Name
acidum clavulanicum
Role
alias
Source
HERB_v2
Preferred
No
Name
acidum clavulanicum
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(2R,3Z,5R)-3-(2-hydroxyethylidene)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acid58001-44-8Acide clavulaniqueAcido clavulanicoAntibiotic MM 14151ClavulanateClavulansaeureMM 14151acidum clavulanicum
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN021066
Npass
NPC264014
Tcm Id
1043110432
Pub Chem
5280980
Tcmbank
TCMBANKIN002796
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C8H9NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)/b4-1-/t6-,7-/m1/s1
Mol Wt
199.162
Smiles
C1C2N(C1=O)C(C(=CCO)O2)C(=O)O
Mol Log P
-1.0956
In Ch Ikey
HZZVJAQRINQKSD-PBFISZAISA-N
Num Hdonors
2
Drug Likeness
0.551
Num Hacceptors
4
Isomeric Smiles
C1[C@@H]2N(C1=O)[C@H](/C(=C/CO)/O2)C(=O)O
Canonical Smiles
C1C2N(C1=O)C(C(=CCO)O2)C(=O)O
Herb Alias Names
ClavulanateAcido clavulanico58001-44-8Acide clavulaniqueClavulansaeureAntibiotic MM 14151acidum clavulanicumMM 14151(2R,3Z,5R)-3-(2-hydroxyethylidene)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Molecular Weight
199.16 g/mol
Molecular Formula
C8H9NO5
Molecular Formula
C8H9NO5
Num Rotatable Bonds
2