IngredientID 2171
2-methyl-5-(5 ' -hydroxy-1 ',5 ' -dimethyl-3 ' -hexenyl)phenol
C16H24O
Relationship Network
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Herb: 1Ingredient: 1Target: 7Links: 8
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Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 2171
- Core Entity Id
- 5602
- Source Entity Count
- 1
- Preferred Name
- 2-methyl-5-(5 ' -hydroxy-1 ',5 ' -dimethyl-3 ' -hexenyl)phenol
- Name En
- Pubchem Id
- Smiles Canonical
- Molecular Formula
- C16H24O
- Molecular Weight
- 232.4000
- Inchikey
- Inchi
- Isomeric Smiles
- Cas Id
- Ob Score
- 51.3109
- 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- Methyl-5-(5 ' -Hydroxy-1 ' ,5 ' -Dimethyl-3 ' -Hexenyl)Phenol
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
2- Methyl-5-(5 ' -Hydroxy-1 ' ,5 ' -Dimethyl-3 ' -Hexenyl)Phenol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
2- methyl-5-(5 ' -hydroxy-1 ' ,5 ' -dimethyl-3 ' -hexenyl)phenol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
2- methyl-5-(5 ' -hydroxy-1 ' ,5 ' -dimethyl-3 ' -hexenyl)phenol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2-methyl-5-(5 ' -hydroxy-1 ',5 ' -dimethyl-3 ' -hexenyl)phenol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
2-methyl-5-(5 ' -hydroxy-1 ',5 ' -dimethyl-3 ' -hexenyl)phenol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Aliases
Additional names normalized into the restored final schema.
2- Methyl-5-(5 ' -Hydroxy-1 ' ,5 ' -Dimethyl-3 ' -Hexenyl)Phenol
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN005992
Tcmsp
MOL001057
Sym Map
SMIT03535
Tcmbank
TCMBANKIN008366
Etcm Ingredient
2- methyl-5-(5 ' -hydroxy-1 ' ,5 ' -dimethyl-3 ' -hexenyl)phenol
Itcmdb Generated
ITX-INGREDIENT-888305732699
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
Version
v1,v2
Ob Score
51.31094351.3109434451.311
Suppress
0
Molecule Weight
232.4
Molecular Weight
232.180
Molecular Weight
232.4
Molecular Formula
C16H24O
Fda Maximum Daily Dose (Fdamdd)
0.945
Quantitative Estimate Of Drug Likeness（Qed）
0.742