Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 2Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 6122
- Core Entity Id
- 9988
- Source Entity Count
- 1
- Preferred Name
- 4-hydroxyxanthone
- Name En
- Pubchem Id
- 611428
- Smiles Canonical
- C1=CC=C2C(=C1)C(=O)C3=C(O2)C(=CC=C3)O
- Molecular Formula
- C13H8O3
- Molecular Weight
- 212.2040
- Inchikey
- KBQFPPUAIJHDCO-UHFFFAOYSA-N
- Inchi
- InChI=1S/C13H8O3/c14-10-6-3-5-9-12(15)8-4-1-2-7-11(8)16-13(9)10/h1-7,14H
- Isomeric Smiles
- C1=CC=C2C(=C1)C(=O)C3=C(O2)C(=CC=C3)O
- Cas Id
- Ob Score
- Mol Logp
- 2.6518
- Num H Donors
- 1
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.5830
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
4-hydroxyxanthone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
4-hydroxyxanthone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
4-hydroxyxanthone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
14686-63-6
Role
alias
Source
itcmdb_public
Preferred
No
Name
14686-63-6
Role
alias
Source
HERB_v2
Preferred
No
Name
3DU8IL6F8E
Role
alias
Source
HERB_v2
Preferred
No
Name
3DU8IL6F8E
Role
alias
Source
itcmdb_public
Preferred
No
Name
4-Hydroxy-9H-xanthen-9-one
Role
alias
Source
HERB_v2
Preferred
No
Name
4-Hydroxy-9H-xanthen-9-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
4-Hydroxy-xanthen-9-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
4-Oxidanylxanthen-9-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
4-Oxidanylxanthen-9-one
Role
alias
Source
HERB_v2
Preferred
No
Name
4-hydroxy-9H-9-xanthenone
Role
alias
Source
itcmdb_public
Preferred
No
Name
4-hydroxy-9H-9-xanthenone
Role
alias
Source
HERB_v2
Preferred
No
Name
4-hydroxyxanthen-9-one
Role
alias
Source
HERB_v2
Preferred
No
Name
9H-Xanthen-9-one, 4-hydroxy-
Role
alias
Source
HERB_v2
Preferred
No
Name
9H-Xanthen-9-one, 4-hydroxy-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Xanthen-9-one, 4-hydroxy-
Role
alias
Source
HERB_v2
Preferred
No
Name
Xanthen-9-one, 4-hydroxy-
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
14686-63-63DU8IL6F8E4-Hydroxy-9H-xanthen-9-one4-Hydroxy-xanthen-9-one4-Oxidanylxanthen-9-one4-hydroxy-9H-9-xanthenone4-hydroxyxanthen-9-one9H-Xanthen-9-one, 4-hydroxy-Xanthen-9-one, 4-hydroxy-
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN010579
Tcmid
10830
Pub Chem
611428
Tcmbank
TCMBANKIN033293
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C13H8O3/c14-10-6-3-5-9-12(15)8-4-1-2-7-11(8)16-13(9)10/h1-7,14H
Mol Wt
212.204
Smiles
C1=CC=C2C(=C1)C(=O)C3=C(O2)C(=CC=C3)O
Mol Log P
2.651800000000002
In Ch Ikey
KBQFPPUAIJHDCO-UHFFFAOYSA-N
Num Hdonors
1
Drug Likeness
0.583
Num Hacceptors
3
Isomeric Smiles
C1=CC=C2C(=C1)C(=O)C3=C(O2)C(=CC=C3)O
Canonical Smiles
C1=CC=C2C(=C1)C(=O)C3=C(O2)C(=CC=C3)O
Herb Alias Names
4-hydroxyxanthen-9-one9H-Xanthen-9-one, 4-hydroxy-14686-63-64-Hydroxy-9H-xanthen-9-one4-Oxidanylxanthen-9-one3DU8IL6F8E4-hydroxy-9H-9-xanthenoneXanthen-9-one, 4-hydroxy-4-Hydroxy-xanthen-9-one
Molecular Weight
212.2 g/mol
Molecular Formula
C13H8O3
Molecular Formula
C13H8O3
Num Rotatable Bonds
0