IngredientID 5503

4-(2,6,6-trimethyl-1-cyclohexenl-yl)-3-buten-2-ol

C14H22O2

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Herb: 1Ingredient: 1Target: 13Links: 14
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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id
5503
Core Entity Id
9308
Source Entity Count
1
Preferred Name
4-(2,6,6-trimethyl-1-cyclohexenl-yl)-3-buten-2-ol
Name En
Pubchem Id
Smiles Canonical
Molecular Formula
C14H22O2
Molecular Weight
222.3600
Inchikey
Inchi
Isomeric Smiles
Cas Id
Ob Score
20.6670
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-(2,6,6-Trimethyl-1-Cyclohexenl-Yl)-3-Buten-2-Ol
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
4-(2,6,6-Trimethyl-1-Cyclohexenl-Yl)-3-Buten-2-Ol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
4-(2,6,6-Trimethyl-1-cyclohexenl-yl)-3-buten-2-ol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
4-(2,6,6-Trimethyl-1-cyclohexenl-yl)-3-buten-2-ol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
4-(2,6,6-trimethyl-1-cyclohexenl-yl)-3-buten-2-ol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
4-(2,6,6-trimethyl-1-cyclohexenl-yl)-3-buten-2-ol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
4-(2,6,6-trimethyl-1-cyclohexenal-yl)-3-buten-2-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
4-(2,6,6-trimethyl-1-cyclohexenal-yl)-3-buten-2-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
4-(2,6,6-trimethyl-1-cyclohexenal-yl)-3-buten-2-ol
Role
alias
Source
TCMBank
Preferred
No

Aliases

Additional names normalized into the restored final schema.

4-(2,6,6-trimethyl-1-cyclohexenal-yl)-3-buten-2-ol

Cross References

Trusted external identifiers retained for this final record.

Herb
HBIN009863
Tcmsp
MOL010296
Sym Map
SMIT11355
Tcmbank
TCMBANKIN026084
Etcm Ingredient
4-(2,6,6-Trimethyl-1-cyclohexenl-yl)-3-buten-2-ol
Itcmdb Generated
ITX-INGREDIENT-05E1B7AD33E4

Attributes

Merged source attributes and domain-specific metadata.

Type
Other ingredients
Version
v1,v2
Ob Score
20.66720.6671218520.667122
Suppress
0
Molecule Weight
222.36
Herb Alias Names
4-(2,6,6-trimethyl-1-cyclohexenal-yl)-3-buten-2-ol
Molecular Weight
222.160
Molecular Weight
222.36
Molecular Formula
C14H22O2
Fda Maximum Daily Dose (Fdamdd)
0.963
Quantitative Estimate Of Drug Likeness(Qed)
0.589