Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 6Ingredient: 1Target: 4Links: 12
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 38726
- Core Entity Id
- 67355
- Source Entity Count
- 1
- Preferred Name
- 1,5-dihydroxyxanthone
- Name En
- Pubchem Id
- 5480299
- Smiles Canonical
- C1=CC2=C(C(=C1)O)OC3=CC=CC(=C3C2=O)O
- Molecular Formula
- C13H8O4
- Molecular Weight
- 228.2030
- Inchikey
- APIPFXZYOMIJQG-UHFFFAOYSA-N
- Inchi
- InChI=1S/C13H8O4/c14-8-4-2-6-10-11(8)12(16)7-3-1-5-9(15)13(7)17-10/h1-6,14-15H
- Isomeric Smiles
- C1=CC2=C(C(=C1)O)OC3=CC=CC(=C3C2=O)O
- Cas Id
- Ob Score
- Mol Logp
- 2.3574
- Num H Donors
- 2
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.5790
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
1,5-Dihydroxyxanthone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
1,5-Dihydroxyxanthone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
1,5-dihydroxyxanthone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
1,5-dihydroxyxanthone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
非洲黄果木
Role
TCM_name
Source
TCMBank
Preferred
No
Name
FEI ZHOU HUANG GUO MU
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
African Mammey Apple
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
1,5-DIHYDROXY-9H-XANTHEN-9-ONE
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,5-DIHYDROXY-9H-XANTHEN-9-ONE
Role
alias
Source
HERB_v2
Preferred
No
Name
1,5-dihydroxyxanthen-9-one
Role
alias
Source
HERB_v2
Preferred
No
Name
1,5-dihydroxyxanthen-9-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,5-dihydroxyxanthone
Role
alias
Source
TCMBank
Preferred
No
Name
14686-65-8
Role
alias
Source
HERB_v2
Preferred
No
Name
14686-65-8
Role
alias
Source
itcmdb_public
Preferred
No
Name
2945MQ2UXP
Role
alias
Source
HERB_v2
Preferred
No
Name
2945MQ2UXP
Role
alias
Source
itcmdb_public
Preferred
No
Name
9H-Xanthen-9-one, 1,5-dihydroxy-
Role
alias
Source
HERB_v2
Preferred
No
Name
9H-Xanthen-9-one, 1,5-dihydroxy-
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL185686
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL185686
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID80420489
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID80420489
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL15527312
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL15527312
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
非洲黄果木FEI ZHOU HUANG GUO MUAfrican Mammey Apple1,5-DIHYDROXY-9H-XANTHEN-9-ONE1,5-dihydroxyxanthen-9-one14686-65-82945MQ2UXP9H-Xanthen-9-one, 1,5-dihydroxy-CHEMBL185686DTXSID80420489SCHEMBL15527312
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN001661
Npass
NPC59551
Tcmid
6180
Tcm Id
1582215823
Pub Chem
5480299
Tcmbank
TCMBANKIN038531
Etcm Ingredient
1,5-Dihydroxyxanthone
Itcmdb Generated
ITX-INGREDIENT-332D28B720AA
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C13H8O4/c14-8-4-2-6-10-11(8)12(16)7-3-1-5-9(15)13(7)17-10/h1-6,14-15H
Mol Wt
228.203
Mol Log P
2.3574
In Ch Ikey
APIPFXZYOMIJQG-UHFFFAOYSA-N
Tcm Name
非洲黄果木
Tcm Name2
FEI ZHOU HUANG GUO MU
Mol2 Path
/TCM_database/2007_3d_all/06181.mol2
Reference
1521, 3866, 4094, 4995
Num Hdonors
2
Tcm Name En
African Mammey Apple
Drug Likeness
0.579
Num Hacceptors
4
Isomeric Smiles
C1=CC2=C(C(=C1)O)OC3=CC=CC(=C3C2=O)O
Canonical Smiles
C1=CC2=C(C(=C1)O)OC3=CC=CC(=C3C2=O)O
Herb Alias Names
14686-65-81,5-dihydroxyxanthen-9-one9H-Xanthen-9-one, 1,5-dihydroxy-1,5-DIHYDROXY-9H-XANTHEN-9-ONECHEMBL1856861,5-Dihydroxy-xanthen-9-one2945MQ2UXPSCHEMBL15527312DTXSID80420489
Molecular Weight
228.040
Molecular Weight
228.2 g/mol
Molecular Formula
C13H8O4
Molecular Formula
C13H8O4
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.065
Quantitative Estimate Of Drug Likeness（Qed）
0.579