IngredientID 5489
4-[2,2,6-trimethyl-7-oxabicyclo [4. 1. 0] hept-1-yl]-3-buten-2-one
C13H20O2
Relationship Network
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Herb: 2Ingredient: 1Links: 2
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Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 5489
- Core Entity Id
- 9293
- Source Entity Count
- 1
- Preferred Name
- 4-[2,2,6-trimethyl-7-oxabicyclo [4. 1. 0] hept-1-yl]-3-buten-2-one
- Name En
- Pubchem Id
- Smiles Canonical
- Molecular Formula
- C13H20O2
- Molecular Weight
- 208.1500
- Inchikey
- Inchi
- Isomeric Smiles
- Cas Id
- Ob Score
- 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
4- [2,2,6-Trimethyl-7-Oxabicyclo [4. 1. 0] Hept-1-Yl]-3-Buten-2-One
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
4- [2,2,6-Trimethyl-7-Oxabicyclo [4. 1. 0] Hept-1-Yl]-3-Buten-2-One
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
4- [2,2,6-trimethyl-7-oxabicyclo [4. 1. 0] hept-1-yl]-3-buten-2-one
Role
preferred
Source
TCMBank
Preferred
Yes
Name
4-(2,2,6-trimethyl-7-oxabicyclo[4.1.0]hept-1-yl)-3-buten-2-one
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
4-[2,2,6-trimethyl-7-oxabicyclo [4. 1. 0] hept-1-yl]-3-buten-2-one
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
4-[2,2,6-trimethyl-7-oxabicyclo [4. 1. 0] hept-1-yl]-3-buten-2-one
Role
preferred
Source
itcmdb_public
Preferred
Yes
Aliases
Additional names normalized into the restored final schema.
4- [2,2,6-Trimethyl-7-Oxabicyclo [4. 1. 0] Hept-1-Yl]-3-Buten-2-One4-(2,2,6-trimethyl-7-oxabicyclo[4.1.0]hept-1-yl)-3-buten-2-one
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN009850
Tcmid
41700
Sym Map
SMIT21458
Tcmbank
TCMBANKIN028394
Etcm Ingredient
4-(2,2,6-trimethyl-7-oxabicyclo[4.1.0]hept-1-yl)-3-buten-2-one
Itcmdb Generated
ITX-INGREDIENT-17A3099D0384ITX-INGREDIENT-FB019CF982F2
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
Version
v2
Suppress
0
Molecular Weight
208.150
Molecular Formula
C13H20O2
Fda Maximum Daily Dose (Fdamdd)
0.134
Quantitative Estimate Of Drug Likeness（Qed）
0.516