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
- 8414
- Core Entity Id
- 12522
- Source Entity Count
- 1
- Preferred Name
- 7-hydroxy-8-methoxyxanthone
- Name En
- Pubchem Id
- 10399460
- Smiles Canonical
- COC1=C(C=CC2=C1C(=O)C3=CC=CC=C3O2)O
- Molecular Formula
- C14H10O4
- Molecular Weight
- 242.2300
- Inchikey
- ATPZBKJDXXSOFC-UHFFFAOYSA-N
- Inchi
- InChI=1S/C14H10O4/c1-17-14-9(15)6-7-11-12(14)13(16)8-4-2-3-5-10(8)18-11/h2-7,15H,1H3
- Isomeric Smiles
- COC1=C(C=CC2=C1C(=O)C3=CC=CC=C3O2)O
- 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
7-Hydroxy-8-methoxyxanthone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
7-hydroxy-8-methoxyxanthone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
7-hydroxy-8-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
16302-46-8
Role
alias
Source
HERB_v2
Preferred
No
Name
16302-46-8
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Hydroxy-1-methoxyxanthone
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Hydroxy-1-methoxyxanthone
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-hydroxy-1-methoxy-xanthen-9-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-hydroxy-1-methoxy-xanthen-9-one
Role
alias
Source
HERB_v2
Preferred
No
Name
9H-Xanthen-9-one, 2-hydroxy-1-methoxy-
Role
alias
Source
itcmdb_public
Preferred
No
Name
9H-Xanthen-9-one, 2-hydroxy-1-methoxy-
Role
alias
Source
HERB_v2
Preferred
No
Name
AKOS040763029
Role
alias
Source
itcmdb_public
Preferred
No
Name
AKOS040763029
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL1923834
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL1923834
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*16302-46-82-Hydroxy-1-methoxyxanthone2-hydroxy-1-methoxy-xanthen-9-one9H-Xanthen-9-one, 2-hydroxy-1-methoxy-AKOS040763029CHEMBL1923834
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN013260
Npass
NPC200221
Tcmid
10463
Pub Chem
10399460
Tcmbank
TCMBANKIN041381
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C14H10O4/c1-17-14-9(15)6-7-11-12(14)13(16)8-4-2-3-5-10(8)18-11/h2-7,15H,1H3
Mol Wt
242.23
Mol Log P
2.660400000000001
In Ch Ikey
ATPZBKJDXXSOFC-UHFFFAOYSA-N
Tcm Name
苏格兰胡桐
Tcm Name2
SU GE LAN HU TONG
Mol2 Path
/TCM_database/2007_3d_all/10464.mol2
Reference
4995
Num Hdonors
1
Tcm Name En
Caledonian Beautyleaf*
Drug Likeness
0.666
Num Hacceptors
4
Isomeric Smiles
COC1=C(C=CC2=C1C(=O)C3=CC=CC=C3O2)O
Canonical Smiles
COC1=C(C=CC2=C1C(=O)C3=CC=CC=C3O2)O
Herb Alias Names
16302-46-82-Hydroxy-1-methoxyxanthone2-hydroxy-1-methoxy-xanthen-9-oneCHEMBL1923834AKOS0407630299H-Xanthen-9-one, 2-hydroxy-1-methoxy-
Molecular Weight
242.23 g/mol
Molecular Formula
C14H10O4
Num Rotatable Bonds
1