Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 8364
- Core Entity Id
- 12466
- Source Entity Count
- 1
- Preferred Name
- 7-hydroxy-2-(2-phenylethyl)chromone
- Name En
- Pubchem Id
- 10890802
- Smiles Canonical
- C1=CC=C(C=C1)CCC2=CC(=O)C3=C(O2)C=C(C=C3)O
- Molecular Formula
- C17H14O3
- Molecular Weight
- 266.2960
- Inchikey
- QVPPGYBSJQCGTN-UHFFFAOYSA-N
- Inchi
- InChI=1S/C17H14O3/c18-13-7-9-15-16(19)11-14(20-17(15)10-13)8-6-12-4-2-1-3-5-12/h1-5,7,9-11,18H,6,8H2
- Isomeric Smiles
- C1=CC=C(C=C1)CCC2=CC(=O)C3=C(O2)C=C(C=C3)O
- Cas Id
- Ob Score
- Mol Logp
- 3.2838
- Num H Donors
- 1
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.7910
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
7-Hydroxy-2-(2-Phenylethyl)Chromone
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
7-Hydroxy-2-(2-Phenylethyl)Chromone
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
7-Hydroxy-2-(2-phenylethyl)chromone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
7-hydroxy-2-(2-phenylethyl)chromone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
7-hydroxy-2-(2-phenylethyl)chromone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
7-hydroxy-2-(2-phenylethyl)chromone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
CHEMBL3593953
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL3593953
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL16972788
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL16972788
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
CHEMBL3593953SCHEMBL16972788
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN013205
Tcmid
10616
Sym Map
SMIT21965
Pub Chem
10890802
Tcmbank
TCMBANKIN046344
Etcm Ingredient
7-Hydroxy-2-(2-phenylethyl)chromone
Itcmdb Generated
ITX-INGREDIENT-19608D67F1ADITX-INGREDIENT-BE9FEB8B4FDB
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C17H14O3/c18-13-7-9-15-16(19)11-14(20-17(15)10-13)8-6-12-4-2-1-3-5-12/h1-5,7,9-11,18H,6,8H2
Mol Wt
266.296
Smiles
C1=CC=C(C=C1)CCC2=CC(=O)C3=C(O2)C=C(C=C3)O
Mol Log P
3.283800000000002
Version
v2
In Ch Ikey
QVPPGYBSJQCGTN-UHFFFAOYSA-N
Suppress
0
Mol2 Path
/TCM_database/2007_3d_all/10617.mol2
Reference
4173
Num Hdonors
1
Drug Likeness
0.791
Num Hacceptors
3
Isomeric Smiles
C1=CC=C(C=C1)CCC2=CC(=O)C3=C(O2)C=C(C=C3)O
Canonical Smiles
C1=CC=C(C=C1)CCC2=CC(=O)C3=C(O2)C=C(C=C3)O
Herb Alias Names
CHEMBL3593953SCHEMBL16972788
Molecular Weight
266.090
Molecular Weight
266.29 g/mol
Molecular Formula
C17H14O3
Molecular Formula
C17H14O3
Molecular Formula
C17H14O3
Num Rotatable Bonds
3
Fda Maximum Daily Dose (Fdamdd)
0.720
Quantitative Estimate Of Drug Likeness（Qed）
0.791