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: 12Links: 13
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 36862
- Core Entity Id
- 44171
- Source Entity Count
- 1
- Preferred Name
- Xanthones
- Name En
- Pubchem Id
- 7020
- Smiles Canonical
- C1=CC=C2C(=C1)C(=O)C3=CC=CC=C3O2
- Molecular Formula
- C13H8O2
- Molecular Weight
- 196.2050
- Inchikey
- JNELGWHKGNBSMD-UHFFFAOYSA-N
- Inchi
- InChI=1S/C13H8O2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1-8H
- Isomeric Smiles
- C1=CC=C2C(=C1)C(=O)C3=CC=CC=C3O2
- Cas Id
- 90-47-1
- Ob Score
- Mol Logp
- 2.9462
- Num H Donors
- 0
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.5170
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Xanthones
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Xanthones
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
xanthones
Role
preferred
Source
TCMBank
Preferred
Yes
Name
9-Oxoxanthene
Role
alias
Source
HERB_v2
Preferred
No
Name
9-Oxoxanthene
Role
alias
Source
itcmdb_public
Preferred
No
Name
9-Xanthenone
Role
alias
Source
itcmdb_public
Preferred
No
Name
9-Xanthenone
Role
alias
Source
HERB_v2
Preferred
No
Name
9-Xanthone
Role
alias
Source
itcmdb_public
Preferred
No
Name
9-Xanthone
Role
alias
Source
HERB_v2
Preferred
No
Name
90-47-1
Role
alias
Source
HERB_v2
Preferred
No
Name
90-47-1
Role
alias
Source
itcmdb_public
Preferred
No
Name
9H-Xanthen-9-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
9H-Xanthen-9-one
Role
alias
Source
HERB_v2
Preferred
No
Name
Benzophenone oxide
Role
alias
Source
itcmdb_public
Preferred
No
Name
Benzophenone oxide
Role
alias
Source
HERB_v2
Preferred
No
Name
Genicide
Role
alias
Source
itcmdb_public
Preferred
No
Name
Genicide
Role
alias
Source
HERB_v2
Preferred
No
Name
XANTHONE
Role
alias
Source
itcmdb_public
Preferred
No
Name
XANTHONE
Role
alias
Source
HERB_v2
Preferred
No
Name
Xanthen-9-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
Xanthen-9-one
Role
alias
Source
HERB_v2
Preferred
No
Name
Xanthenone
Role
alias
Source
HERB_v2
Preferred
No
Name
Xanthenone
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
9-Oxoxanthene9-Xanthenone9-Xanthone90-47-19H-Xanthen-9-oneBenzophenone oxideGenicideXANTHONEXanthen-9-oneXanthenone
Cross References
Trusted external identifiers retained for this final record.
Cas
90-47-1
Herb
HBIN048452
Npass
NPC35744
Tcmid
24294
Tcm Id
9851
Pub Chem
7020
Tcmbank
TCMBANKIN007882
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C13H8O2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1-8H
Mol Wt
196.205
Cas Id
90-47-1
Smiles
C1=CC=C2C(=C1)C(=O)C3=CC=CC=C3O2
Mol Log P
2.946200000000001
In Ch Ikey
JNELGWHKGNBSMD-UHFFFAOYSA-N
Num Hdonors
0
Drug Likeness
0.517
Num Hacceptors
2
Isomeric Smiles
C1=CC=C2C(=C1)C(=O)C3=CC=CC=C3O2
Canonical Smiles
C1=CC=C2C(=C1)C(=O)C3=CC=CC=C3O2
Herb Alias Names
XANTHONE9H-Xanthen-9-one90-47-1Xanthen-9-one9-XanthenoneBenzophenone oxide9-OxoxantheneXanthenoneGenicide9-Xanthone
Molecular Weight
196.2
Molecular Formula
C13H8O2
Molecular Formula
C13H8O2
Num Rotatable Bonds
0