Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Target: 1Links: 4
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 7397
- Core Entity Id
- 11404
- Source Entity Count
- 1
- Preferred Name
- 6,8-dihydroxy-2-(2-phenylethyl)chromone
- Name En
- Pubchem Id
- 10902066
- Smiles Canonical
- C1=CC=C(C=C1)CCC2=CC(=O)C3=C(O2)C(=CC(=C3)O)O
- Molecular Formula
- C17H14O4
- Molecular Weight
- 282.2950
- Inchikey
- BHADNQACDVZRFY-UHFFFAOYSA-N
- Inchi
- InChI=1S/C17H14O4/c18-12-8-14-15(19)10-13(21-17(14)16(20)9-12)7-6-11-4-2-1-3-5-11/h1-5,8-10,18,20H,6-7H2
- Isomeric Smiles
- C1=CC=C(C=C1)CCC2=CC(=O)C3=C(O2)C(=CC(=C3)O)O
- Cas Id
- Ob Score
- Mol Logp
- 2.9894
- Num H Donors
- 2
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.7740
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
6,8-Dihydroxy-2-(2-Phenylethyl)Chromone
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
6,8-Dihydroxy-2-(2-Phenylethyl)Chromone
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
6,8-Dihydroxy-2-(2-phenylethyl)chromone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
6,8-Dihydroxy-2-(2-phenylethyl)chromone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
6,8-dihydroxy-2-(2-phenylethyl)chromone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
6,8-dihydroxy-2-(2-phenylethyl)chromone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
沉香
Role
TCM_name
Source
TCMBank
Preferred
No
Name
CHEN XIANG
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Eaglewood
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
CHEMBL5178489
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL5178489
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
沉香CHEN XIANGEaglewoodCHEMBL5178489
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN012119
Tcmid
6082
Sym Map
SMIT15126
Pub Chem
10902066
Tcmbank
TCMBANKIN045879
Etcm Ingredient
6,8-Dihydroxy-2-(2-phenylethyl)chromone
Itcmdb Generated
ITX-INGREDIENT-DD71FB360562
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C17H14O4/c18-12-8-14-15(19)10-13(21-17(14)16(20)9-12)7-6-11-4-2-1-3-5-11/h1-5,8-10,18,20H,6-7H2
Mol Wt
282.295
Mol Log P
2.989400000000002
Version
v1,v2
In Ch Ikey
BHADNQACDVZRFY-UHFFFAOYSA-N
Suppress
0
Tcm Name
沉香
Tcm Name2
CHEN XIANG
Mol2 Path
/TCM_database/2007_3d_all/06083.mol2
Reference
4173
Num Hdonors
2
Tcm Name En
Eaglewood
Drug Likeness
0.774
Num Hacceptors
4
Isomeric Smiles
C1=CC=C(C=C1)CCC2=CC(=O)C3=C(O2)C(=CC(=C3)O)O
Canonical Smiles
C1=CC=C(C=C1)CCC2=CC(=O)C3=C(O2)C(=CC(=C3)O)O
Herb Alias Names
CHEMBL5178489
Molecular Weight
282.090
Molecular Weight
282.29 g/mol
Molecule Formula
C17H14O4
Molecular Formula
C17H14O4
Molecular Formula
C17H14O4
Num Rotatable Bonds
3
Fda Maximum Daily Dose (Fdamdd)
0.602
Quantitative Estimate Of Drug Likeness（Qed）
0.774