Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 38242
- Core Entity Id
- 63048
- Source Entity Count
- 1
- Preferred Name
- 1,3,5-trihydroxy-2-methoxyxanthone
- Name En
- Pubchem Id
- 5480342
- Smiles Canonical
- COC1=C(C2=C(C=C1O)OC3=C(C2=O)C=CC=C3O)O
- Molecular Formula
- C14H10O6
- Molecular Weight
- 274.2280
- Inchikey
- JAOZFCHZESUBKS-UHFFFAOYSA-N
- Inchi
- InChI=1S/C14H10O6/c1-19-14-8(16)5-9-10(12(14)18)11(17)6-3-2-4-7(15)13(6)20-9/h2-5,15-16,18H,1H3
- Isomeric Smiles
- COC1=C(C2=C(C=C1O)OC3=C(C2=O)C=CC=C3O)O
- Cas Id
- Ob Score
- Mol Logp
- 2.0716
- Num H Donors
- 3
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.5870
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
1,3,5-Trihydroxy-2-methoxyxanthone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
1,3,5-trihydroxy-2-methoxyxanthone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
1,3,5-trihydroxy-2-methoxyxanthone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
苏格兰胡桐
Role
TCM_name
Source
TCMBank
Preferred
No
Name
SU GE LAN HU TONG
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Caledonian Beautyleaf*
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
1,3,5-Trihydroxy-2-methoxy-xanthen-9-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,3,5-Trihydroxy-2-methoxyxanthon
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,3,5-Trihydroxy-2-methoxyxanthon
Role
alias
Source
HERB_v2
Preferred
No
Name
1,3,5-trihydroxy-2-methoxyxanthen-9-one
Role
alias
Source
HERB_v2
Preferred
No
Name
34211-53-5
Role
alias
Source
HERB_v2
Preferred
No
Name
34211-53-5
Role
alias
Source
itcmdb_public
Preferred
No
Name
AKOS040762436
Role
alias
Source
HERB_v2
Preferred
No
Name
AKOS040762436
Role
alias
Source
itcmdb_public
Preferred
No
Name
BDBM50155424
Role
alias
Source
HERB_v2
Preferred
No
Name
BDBM50155424
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL186433
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL186433
Role
alias
Source
HERB_v2
Preferred
No
Name
Tovopyrifolin C
Role
alias
Source
HERB_v2
Preferred
No
Name
Tovopyrifolin C
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
苏格兰胡桐SU GE LAN HU TONGCaledonian Beautyleaf*1,3,5-Trihydroxy-2-methoxy-xanthen-9-one1,3,5-Trihydroxy-2-methoxyxanthon1,3,5-trihydroxy-2-methoxyxanthen-9-one34211-53-5AKOS040762436BDBM50155424CHEMBL186433Tovopyrifolin C
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN001065
Tcmid
21774
Pub Chem
5480342
Tcmbank
TCMBANKIN046876
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C14H10O6/c1-19-14-8(16)5-9-10(12(14)18)11(17)6-3-2-4-7(15)13(6)20-9/h2-5,15-16,18H,1H3
Mol Wt
274.228
Mol Log P
2.0716
In Ch Ikey
JAOZFCHZESUBKS-UHFFFAOYSA-N
Tcm Name
苏格兰胡桐
Tcm Name2
SU GE LAN HU TONG
Mol2 Path
/TCM_database/2007_3d_all/21790.mol2
Reference
4995
Num Hdonors
3
Tcm Name En
Caledonian Beautyleaf*
Drug Likeness
0.587
Num Hacceptors
6
Isomeric Smiles
COC1=C(C2=C(C=C1O)OC3=C(C2=O)C=CC=C3O)O
Canonical Smiles
COC1=C(C2=C(C=C1O)OC3=C(C2=O)C=CC=C3O)O
Herb Alias Names
Tovopyrifolin C34211-53-51,3,5-trihydroxy-2-methoxyxanthen-9-oneCHEMBL1864331,3,5-Trihydroxy-2-methoxy-xanthen-9-oneTovopyrifolinC1,3,5-Trihydroxy-2-methoxyxanthonBDBM50155424AKOS040762436
Molecular Formula
C14H10O6
Num Rotatable Bonds
1