Relationship Network
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 39111
- Core Entity Id
- 70794
- Source Entity Count
- 1
- Preferred Name
- 1,8-dihydroxy-5-methoxy-3-methylxanthone
- Name En
- Pubchem Id
- 54314317
- Smiles Canonical
- CC1=CC(=C2C(=C1)OC3=C(C=CC(=C3C2=O)O)OC)O
- Molecular Formula
- C15H12O5
- Molecular Weight
- 272.2560
- Inchikey
- SNBQFXGZSPRJLG-UHFFFAOYSA-N
- Inchi
- InChI=1S/C15H12O5/c1-7-5-9(17)12-11(6-7)20-15-10(19-2)4-3-8(16)13(15)14(12)18/h3-6,16-17H,1-2H3
- Isomeric Smiles
- CC1=CC(=C2C(=C1)OC3=C(C=CC(=C3C2=O)O)OC)O
- Cas Id
- Ob Score
- Mol Logp
- 2.6744
- Num H Donors
- 2
- Num H Acceptors
- 5
- 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
1,8-Dihydroxy-5-methoxy-3-methylxanthone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
1,8-dihydroxy-5-methoxy-3-methylxanthone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
1,8-dihydroxy-5-methoxy-3-methylxanthone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
日本小核衣
Role
TCM_name
Source
TCMBank
Preferred
No
Name
RI BEN XIAO HE YI
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Asian lichen
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
1,8-dihydroxy-5-methoxy-3-methylxanthen-9-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,8-dihydroxy-5-methoxy-3-methylxanthen-9-one
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:202582
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:202582
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
日本小核衣RI BEN XIAO HE YIAsian lichen1,8-dihydroxy-5-methoxy-3-methylxanthen-9-oneCHEBI:202582
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN002120
Tcmid
5992
Pub Chem
54314317
Tcmbank
TCMBANKIN041665
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C15H12O5/c1-7-5-9(17)12-11(6-7)20-15-10(19-2)4-3-8(16)13(15)14(12)18/h3-6,16-17H,1-2H3
Mol Wt
272.256
Mol Log P
2.674420000000002
In Ch Ikey
SNBQFXGZSPRJLG-UHFFFAOYSA-N
Tcm Name
日本小核衣
Tcm Name2
RI BEN XIAO HE YI
Mol2 Path
/TCM_database/2007_3d_all/05993.mol2
Reference
2362
Num Hdonors
2
Tcm Name En
Asian lichen
Drug Likeness
0.666
Num Hacceptors
5
Isomeric Smiles
CC1=CC(=C2C(=C1)OC3=C(C=CC(=C3C2=O)O)OC)O
Canonical Smiles
CC1=CC(=C2C(=C1)OC3=C(C=CC(=C3C2=O)O)OC)O
Herb Alias Names
CHEBI:2025821,8-dihydroxy-5-methoxy-3-methylxanthen-9-one
Molecular Weight
272.25 g/mol
Molecular Formula
C15H12O5
Num Rotatable Bonds
1