IngredientID 3733
(+)-3,8-dimethyl-5(1-methylethylethylidene)-1,2,3,4,5,6,7,8-octahydroazulene-6-one
C15H22O
Relationship Network
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Herb: 2Ingredient: 1Target: 9Links: 20
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Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 3733
- Core Entity Id
- 7336
- Source Entity Count
- 1
- Preferred Name
- (+)-3,8-dimethyl-5(1-methylethylethylidene)-1,2,3,4,5,6,7,8-octahydroazulene-6-one
- Name En
- Pubchem Id
- Smiles Canonical
- Molecular Formula
- C15H22O
- Molecular Weight
- 218.3700
- Inchikey
- Inchi
- Isomeric Smiles
- Cas Id
- Ob Score
- 35.0195
- 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
(+)-3,8-Dimethyl-5(1-Methylethylethylidene)-1,2,3,4,5,6,7,8-Octahydroazulene-6-One
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
(+)-3,8-Dimethyl-5(1-Methylethylethylidene)-1,2,3,4,5,6,7,8-Octahydroazulene-6-One
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
(+)-3,8-dimethyl-5(1-methylethylethylidene)-1,2,3,4,5,6,7,8-octahydroazulene-6-one
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
(+)-3,8-dimethyl-5(1-methylethylethylidene)-1,2,3,4,5,6,7,8-octahydroazulene-6-one
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(+)-3,8-dimethyl-5(1-methylethylethylidene)-1,2,3,4,5,6,7,8-octahydroazulene-6-one
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(+)-3,8-dimethyl-5(1-methylethylethylidene)-1,2,3,4,5,6,7,8-octahydroazulene-6-one
Role
preferred
Source
itcmdb_public
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN007833
Tcmsp
MOL013143
Sym Map
SMIT13835
Tcmbank
TCMBANKIN012347
Etcm Ingredient
(+)-3,8-dimethyl-5(1-methylethylethylidene)-1,2,3,4,5,6,7,8-octahydroazulene-6-one
Itcmdb Generated
ITX-INGREDIENT-AADFC1BCBF97
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
Version
v1,v2
Ob Score
35.0195047535.01950535.02
Suppress
0
Molecule Weight
218.37
Molecular Weight
218.170
Molecular Weight
218.37
Molecular Formula
C15H22O
Fda Maximum Daily Dose (Fdamdd)
0.785
Quantitative Estimate Of Drug Likeness（Qed）
0.568