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: 1Ingredient: 1Target: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 52610
- Core Entity Id
- 95621
- Source Entity Count
- 1
- Preferred Name
- 3-Hydroxy-Β-Ionone
- Name En
- Pubchem Id
- 538953
- Smiles Canonical
- CC(=O)C=CC1=C(C)CC(O)CC1(C)C
- Molecular Formula
- C13H20O2
- Molecular Weight
- 208.1500
- Inchikey
- HFRZSVYKDDZRQY-UHFFFAOYSA-N
- Inchi
- InChI=1S/C13H20O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h5-6,11,15H,7-8H2,1-4H3
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 1.6000
- Num H Donors
- 1
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 2
- Drug Likeness
- Polar Surface Area
- 37.3000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
3-Hydroxy-Β-Ionone
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
3-hydroxy-α-ionone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
3-hydroxy-β-ionone
Role
preferred
Source
TCMBank
Preferred
Yes
Aliases
Additional names normalized into the restored final schema.
3-hydroxy-α-ionone
Cross References
Trusted external identifiers retained for this final record.
Tcmbank
TCMBANKIN046881
Etcm Ingredient
3-hydroxy-α-ionone
Itcmdb Generated
ITX-INGREDIENT-6DDA564D6F15
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
Smiles
CC1=C(C(CC(C1)O)(C)C)C=CC(=O)C
Version
v1,v2
Suppress
0
Mol2 Path
/TCM_database/2007_3d_all/10233.mol2
Reference
660
Molecular Weight
208.150
Molecule Formula
C13H20O2
Molecular Formula
C13H20O2
Molecular Formula
C13H20O2
Fda Maximum Daily Dose (Fdamdd)
0.840
Quantitative Estimate Of Drug Likeness（Qed）
0.708