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
- 38907
- Core Entity Id
- 68723
- Source Entity Count
- 1
- Preferred Name
- 1,6-dihydroxyxanthone
- Name En
- Pubchem Id
- 5493674
- Smiles Canonical
- C1=CC(=C2C(=C1)OC3=C(C2=O)C=CC(=C3)O)O
- Molecular Formula
- C13H8O4
- Molecular Weight
- 228.2030
- Inchikey
- IUSXGFFUHTXSRD-UHFFFAOYSA-N
- Inchi
- InChI=1S/C13H8O4/c14-7-4-5-8-11(6-7)17-10-3-1-2-9(15)12(10)13(8)16/h1-6,14-15H
- Isomeric Smiles
- C1=CC(=C2C(=C1)OC3=C(C2=O)C=CC(=C3)O)O
- Cas Id
- Ob Score
- Mol Logp
- 2.3574
- Num H Donors
- 2
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.5790
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
1,6-Dihydroxyxanthone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
1,6-dihydroxyxanthone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
1,6-dihydroxyxanthone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
产伊藤
Role
TCM_name
Source
TCMBank
Preferred
No
Name
CHAN YI TENG
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Cicadawingvine
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
1,6-dihydroxyxanthen-9-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,6-dihydroxyxanthen-9-one
Role
alias
Source
HERB_v2
Preferred
No
Name
16-Dihydroxyxanthone
Role
alias
Source
HERB_v2
Preferred
No
Name
16-Dihydroxyxanthone
Role
alias
Source
itcmdb_public
Preferred
No
Name
5042-08-0
Role
alias
Source
itcmdb_public
Preferred
No
Name
5042-08-0
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL459695
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL459695
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXCID60371369
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXCID60371369
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID60420523
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID60420523
Role
alias
Source
HERB_v2
Preferred
No
Name
IUSXGFFUHTXSRD-UHFFFAOYSA-N
Role
alias
Source
itcmdb_public
Preferred
No
Name
IUSXGFFUHTXSRD-UHFFFAOYSA-N
Role
alias
Source
HERB_v2
Preferred
No
Name
Isoeuxanthone
Role
alias
Source
HERB_v2
Preferred
No
Name
Isoeuxanthone
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL2316559
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL2316559
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
产伊藤CHAN YI TENGCicadawingvine1,6-dihydroxyxanthen-9-one16-Dihydroxyxanthone5042-08-0CHEMBL459695DTXCID60371369DTXSID60420523IUSXGFFUHTXSRD-UHFFFAOYSA-NIsoeuxanthoneSCHEMBL2316559
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN001875
Npass
NPC9985
Tcmid
6181
Pub Chem
5493674
Tcmbank
TCMBANKIN046186
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C13H8O4/c14-7-4-5-8-11(6-7)17-10-3-1-2-9(15)12(10)13(8)16/h1-6,14-15H
Mol Wt
228.203
Mol Log P
2.357400000000001
In Ch Ikey
IUSXGFFUHTXSRD-UHFFFAOYSA-N
Tcm Name
产伊藤
Tcm Name2
CHAN YI TENG
Mol2 Path
/TCM_database/2007_3d_all/06182.mol2
Reference
5238
Num Hdonors
2
Tcm Name En
Cicadawingvine
Drug Likeness
0.579
Num Hacceptors
4
Isomeric Smiles
C1=CC(=C2C(=C1)OC3=C(C2=O)C=CC(=C3)O)O
Canonical Smiles
C1=CC(=C2C(=C1)OC3=C(C2=O)C=CC(=C3)O)O
Herb Alias Names
1,6-dihydroxyxanthen-9-one5042-08-0DTXSID60420523Isoeuxanthone16-DihydroxyxanthoneCHEMBL459695SCHEMBL2316559DTXCID60371369IUSXGFFUHTXSRD-UHFFFAOYSA-N
Molecular Weight
228.2 g/mol
Molecular Formula
C13H8O4
Num Rotatable Bonds
0