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
- 7658
- Core Entity Id
- 11693
- Source Entity Count
- 1
- Preferred Name
- 6-hydroxy-7-methoxyxanthone
- Name En
- Pubchem Id
- 53873221
- Smiles Canonical
- COC1=CC2=C(C=C1)OC3=C(C2=O)C=CC=C3O
- Molecular Formula
- C14H10O4
- Molecular Weight
- 242.2300
- Inchikey
- HEOWOJWZMKMTLX-UHFFFAOYSA-N
- Inchi
- InChI=1S/C14H10O4/c1-17-8-5-6-12-10(7-8)13(16)9-3-2-4-11(15)14(9)18-12/h2-7,15H,1H3
- Isomeric Smiles
- COC1=CC2=C(C=C1)OC3=C(C2=O)C=CC=C3O
- Cas Id
- Ob Score
- Mol Logp
- 2.6604
- Num H Donors
- 1
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.6660
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
6-hydroxy-7-methoxyxanthone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
6-hydroxy-7-methoxyxanthone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
6-hydroxy-7-methoxyxanthone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
141766-17-8
Role
alias
Source
itcmdb_public
Preferred
No
Name
141766-17-8
Role
alias
Source
HERB_v2
Preferred
No
Name
5-HYDROXY-2-METHOXY-9H-XANTHEN-9-ONE
Role
alias
Source
HERB_v2
Preferred
No
Name
5-HYDROXY-2-METHOXY-9H-XANTHEN-9-ONE
Role
alias
Source
itcmdb_public
Preferred
No
Name
5-Hydroxy-2-methoxyxanthone
Role
alias
Source
itcmdb_public
Preferred
No
Name
5-Hydroxy-2-methoxyxanthone
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID60707301
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID60707301
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
141766-17-85-HYDROXY-2-METHOXY-9H-XANTHEN-9-ONE5-Hydroxy-2-methoxyxanthoneDTXSID60707301
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN012412
Tcmid
10462
Pub Chem
53873221
Tcmbank
TCMBANKIN042426
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C14H10O4/c1-17-8-5-6-12-10(7-8)13(16)9-3-2-4-11(15)14(9)18-12/h2-7,15H,1H3
Mol Wt
242.23
Smiles
COC1=CC2=C(C=C1)OC3=C(C2=O)C=CC=C3O
Mol Log P
2.660400000000001
In Ch Ikey
HEOWOJWZMKMTLX-UHFFFAOYSA-N
Mol2 Path
/TCM_database/2007_3d_all/10463.mol2
Reference
4995
Num Hdonors
1
Drug Likeness
0.666
Num Hacceptors
4
Isomeric Smiles
COC1=CC2=C(C=C1)OC3=C(C2=O)C=CC=C3O
Canonical Smiles
COC1=CC2=C(C=C1)OC3=C(C2=O)C=CC=C3O
Herb Alias Names
5-Hydroxy-2-methoxyxanthone141766-17-8DTXSID607073015-HYDROXY-2-METHOXY-9H-XANTHEN-9-ONE
Molecular Formula
C14H10O4
Molecular Formula
C14H10O4
Num Rotatable Bonds
1