IngredientID 198
2,2-dimethyl-3-(4-methyl-4-pentenyl)-cyclopropanecarboxylic acid
C12H20O2
Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
Click a node to open it in a new tab
Herb: 2Ingredient: 1Target: 2Links: 6
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 198
- Core Entity Id
- 1971
- Source Entity Count
- 1
- Preferred Name
- 2,2-dimethyl-3-(4-methyl-4-pentenyl)-cyclopropanecarboxylic acid
- Name En
- Pubchem Id
- Smiles Canonical
- Molecular Formula
- C12H20O2
- Molecular Weight
- 196.2900
- Inchikey
- Inchi
- Isomeric Smiles
- Cas Id
- 74779-63-8
- Ob Score
- 45.8976
- Mol Logp
- Num H Donors
- Num H Acceptors
- Num Rotatable Bonds
- Drug Likeness
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2,2-Dimethyl-3-(4-Methyl-4-Pentenyl)-Cyclopropanecarboxylic Acid
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
2,2-Dimethyl-3-(4-Methyl-4-Pentenyl)-Cyclopropanecarboxylic Acid
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
2,2-Dimethyl-3-(4-methyl-4-pentenyl)-cyclopropanecarboxylic acid
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
2,2-Dimethyl-3-(4-methyl-4-pentenyl)-cyclopropanecarboxylic acid
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2,2-dimethyl-3-(4-methyl-4-pentenyl)-cyclopropanecarboxylic acid
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
2,2-dimethyl-3-(4-methyl-4-pentenyl)-cyclopropanecarboxylic acid
Role
preferred
Source
itcmdb_public
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Cas
74779-63-8
Herb
HBIN003703
Tcmsp
MOL003455
Sym Map
SMIT05519
Tcmbank
TCMBANKIN034973
Etcm Ingredient
2,2-Dimethyl-3-(4-methyl-4-pentenyl)-cyclopropanecarboxylic acid
Itcmdb Generated
ITX-INGREDIENT-1551CED72732
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
Cas Id
74779-63-8
Version
v1,v2
Ob Score
45.89760245.8976024645.898
Suppress
0
Molecule Weight
196.32
Molecular Weight
196.150
Molecular Weight
196.29
Molecular Formula
C12H20O2
Molecular Formula
C12H20O2
Molecular Formula
C12H20O2
Fda Maximum Daily Dose (Fdamdd)
0.042
Quantitative Estimate Of Drug Likeness（Qed）
0.686