Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
Click a node to open it in a new tab
Herb: 1Ingredient: 1Target: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 38902
- Core Entity Id
- 68664
- Source Entity Count
- 1
- Preferred Name
- 1,6-dihydroxy-3,5-dimethoxyxanthone
- Name En
- Pubchem Id
- 5281630
- Smiles Canonical
- COC1=CC(=C2C(=C1)OC3=C(C2=O)C=CC(=C3OC)O)O
- Molecular Formula
- C15H12O6
- Molecular Weight
- 288.2550
- Inchikey
- VKZMZDFCRUHZNI-UHFFFAOYSA-N
- Inchi
- InChI=1S/C15H12O6/c1-19-7-5-10(17)12-11(6-7)21-14-8(13(12)18)3-4-9(16)15(14)20-2/h3-6,16-17H,1-2H3
- Isomeric Smiles
- COC1=CC(=C2C(=C1)OC3=C(C2=O)C=CC(=C3OC)O)O
- Cas Id
- Ob Score
- Mol Logp
- 2.3746
- Num H Donors
- 2
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.7040
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
1,6-Dihydroxy-3,5-dimethoxyxanthone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
1,6-dihydroxy-3,5-dimethoxyxanthone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
1,6-dihydroxy-3,5-dimethoxyxanthone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
1,6-dihydroxy-3,5-dimethoxyxanthone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
1,6-dihydroxy-3,5-dimethoxy-9H-xanthen-9-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,6-dihydroxy-3,5-dimethoxy-9H-xanthen-9-one
Role
alias
Source
HERB_v2
Preferred
No
Name
1,6-dihydroxy-3,5-dimethoxyxanthen-9-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,6-dihydroxy-3,5-dimethoxyxanthen-9-one
Role
alias
Source
HERB_v2
Preferred
No
Name
3,5-Dimethoxy-1,6-dihydroxyxanthen-9-one
Role
alias
Source
HERB_v2
Preferred
No
Name
3,5-Dimethoxy-1,6-dihydroxyxanthen-9-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
3,5-Dimethoxy-1,6-dihydroxyxanthone
Role
alias
Source
itcmdb_public
Preferred
No
Name
3,5-Dimethoxy-1,6-dihydroxyxanthone
Role
alias
Source
HERB_v2
Preferred
No
Name
41357-83-9
Role
alias
Source
HERB_v2
Preferred
No
Name
41357-83-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
C10060
Role
alias
Source
HERB_v2
Preferred
No
Name
C10060
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:1406
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:1406
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID50961637
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID50961637
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL4785647
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL4785647
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
1,6-dihydroxy-3,5-dimethoxy-9H-xanthen-9-one1,6-dihydroxy-3,5-dimethoxyxanthen-9-one3,5-Dimethoxy-1,6-dihydroxyxanthen-9-one3,5-Dimethoxy-1,6-dihydroxyxanthone41357-83-9C10060CHEBI:1406DTXSID50961637SCHEMBL4785647
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN001868
Npass
NPC79513
Tcmid
5840
Pub Chem
5281630
Tcmbank
TCMBANKIN049482
Etcm Ingredient
1,6-Dihydroxy-3,5-dimethoxyxanthone
Itcmdb Generated
ITX-INGREDIENT-4560014139F2
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C15H12O6/c1-19-7-5-10(17)12-11(6-7)21-14-8(13(12)18)3-4-9(16)15(14)20-2/h3-6,16-17H,1-2H3
Mol Wt
288.2549999999999
Smiles
COC1=CC(=C2C(=C1)OC3=C(C2=O)C=CC(=C3OC)O)O
Mol Log P
2.374600000000001
In Ch Ikey
VKZMZDFCRUHZNI-UHFFFAOYSA-N
Mol2 Path
/TCM_database/2007_3d_all/05841.mol2
Reference
4094
Num Hdonors
2
Drug Likeness
0.704
Num Hacceptors
6
Isomeric Smiles
COC1=CC(=C2C(=C1)OC3=C(C2=O)C=CC(=C3OC)O)O
Canonical Smiles
COC1=CC(=C2C(=C1)OC3=C(C2=O)C=CC(=C3OC)O)O
Herb Alias Names
3,5-Dimethoxy-1,6-dihydroxyxanthone41357-83-91,6-dihydroxy-3,5-dimethoxyxanthen-9-oneCHEBI:14061,6-dihydroxy-3,5-dimethoxy-9H-xanthen-9-oneC10060SCHEMBL4785647DTXSID509616373,5-Dimethoxy-1,6-dihydroxyxanthen-9-one
Molecular Weight
288.060
Molecular Weight
288.25 g/mol
Molecular Formula
C15H12O6
Molecular Formula
C15H12O6
Molecular Formula
C15H12O6
Num Rotatable Bonds
2
Fda Maximum Daily Dose (Fdamdd)
0.455
Quantitative Estimate Of Drug Likeness（Qed）
0.704