Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 14Links: 15
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 38224
- Core Entity Id
- 62879
- Source Entity Count
- 1
- Preferred Name
- 1,3,5,6-tetrahydroxyxanthone
- Name En
- Pubchem Id
- 5479774
- Smiles Canonical
- C1=CC(=C(C2=C1C(=O)C3=C(C=C(C=C3O2)O)O)O)O
- Molecular Formula
- C13H8O6
- Molecular Weight
- 260.2010
- Inchikey
- CCEBJWKUMKKCDF-UHFFFAOYSA-N
- Inchi
- InChI=1S/C13H8O6/c14-5-3-8(16)10-9(4-5)19-13-6(11(10)17)1-2-7(15)12(13)18/h1-4,14-16,18H
- Isomeric Smiles
- C1=CC(=C(C2=C1C(=O)C3=C(C=C(C=C3O2)O)O)O)O
- Cas Id
- Ob Score
- 16.2150
- Mol Logp
- 1.7686
- Num H Donors
- 4
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.3620
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
1,3,5,6-Tetrahydroxyxanthone
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
1,3,5,6-Tetrahydroxyxanthone
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
1,3,5,6-tetrahydroxyxanthone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
1,3,5,6-tetrahydroxyxanthone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
1,3,5,6-tetrahydroxyxanthone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
1,3,5,6-tetrahydroxyxanthone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
1,3,5,6-TETRAHYDROXY-9H-XANTHEN-9-ONE
Role
alias
Source
HERB_v2
Preferred
No
Name
1,3,5,6-TETRAHYDROXY-9H-XANTHEN-9-ONE
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,3,5,6-Tetrahydroxyxanthen-9-one
Role
alias
Source
HERB_v2
Preferred
No
Name
1,3,5,6-Tetrahydroxyxanthen-9-one
Role
alias
Source
TCMBank
Preferred
No
Name
1,3,5,6-Tetrahydroxyxanthen-9-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,3,5,6-Tetrahydroxyxantone
Role
alias
Source
HERB_v2
Preferred
No
Name
1,3,5,6-Tetrahydroxyxantone
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,3,5,6-tetrahydroxy-9-xanthenone
Role
alias
Source
TCMBank
Preferred
No
Name
5084-31-1
Role
alias
Source
HERB_v2
Preferred
No
Name
5084-31-1
Role
alias
Source
itcmdb_public
Preferred
No
Name
AIDS011165
Role
alias
Source
TCMBank
Preferred
No
Name
AKOS030562600
Role
alias
Source
HERB_v2
Preferred
No
Name
AKOS030562600
Role
alias
Source
itcmdb_public
Preferred
No
Name
BDBM50292547
Role
alias
Source
HERB_v2
Preferred
No
Name
BDBM50292547
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL448040
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL448040
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID80420484
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID80420484
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL2313484
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL2313484
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
1,3,5,6-TETRAHYDROXY-9H-XANTHEN-9-ONE1,3,5,6-Tetrahydroxyxanthen-9-one1,3,5,6-Tetrahydroxyxantone1,3,5,6-tetrahydroxy-9-xanthenone5084-31-1AIDS011165AKOS030562600BDBM50292547CHEMBL448040DTXSID80420484SCHEMBL2313484
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN001042
Npass
NPC196277
Tcmsp
MOL007881
Sym Map
SMIT09238
Pub Chem
5479774
Tcmbank
TCMBANKIN030473
Etcm Ingredient
1,3,5,6-tetrahydroxyxanthone
Itcmdb Generated
ITX-INGREDIENT-B9F9423749E2
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C13H8O6/c14-5-3-8(16)10-9(4-5)19-13-6(11(10)17)1-2-7(15)12(13)18/h1-4,14-16,18H
Mol Wt
260.201
Smiles
C1=CC(=C(C2=C1C(=O)C3=C(C=C(C=C3O2)O)O)O)O
Mol Log P
1.768600000000001
Version
v1,v2
In Ch Ikey
CCEBJWKUMKKCDF-UHFFFAOYSA-N
Ob Score
16.21516.2151137616.215114
Suppress
0
Num Hdonors
4
Drug Likeness
0.362
Num Hacceptors
6
Isomeric Smiles
C1=CC(=C(C2=C1C(=O)C3=C(C=C(C=C3O2)O)O)O)O
Molecule Weight
260.21
Canonical Smiles
C1=CC(=C(C2=C1C(=O)C3=C(C=C(C=C3O2)O)O)O)O
Herb Alias Names
5084-31-11,3,5,6-TETRAHYDROXY-9H-XANTHEN-9-ONE1,3,5,6-Tetrahydroxyxanthen-9-one1,3,5,6-TetrahydroxyxantoneCHEMBL448040SCHEMBL2313484DTXSID80420484BDBM50292547AKOS030562600
Molecular Weight
260.030
Molecular Weight
260.2 g/mol
Molecular Formula
C13H8O6
Molecular Formula
C13H8O6
Molecular Formula
C13H8O6
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.773
Quantitative Estimate Of Drug Likeness（Qed）
0.362