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
- 38289
- Core Entity Id
- 63447
- Source Entity Count
- 1
- Preferred Name
- 1,3,8-trihydroxy-2-methoxyxanthone
- Name En
- Pubchem Id
- 14756212
- Smiles Canonical
- COC1=C(C2=C(C=C1O)OC3=CC=CC(=C3C2=O)O)O
- Molecular Formula
- C14H10O6
- Molecular Weight
- 274.2280
- Inchikey
- SLPZRZRPLQECGV-UHFFFAOYSA-N
- Inchi
- InChI=1S/C14H10O6/c1-19-14-7(16)5-9-11(13(14)18)12(17)10-6(15)3-2-4-8(10)20-9/h2-5,15-16,18H,1H3
- Isomeric Smiles
- COC1=C(C2=C(C=C1O)OC3=CC=CC(=C3C2=O)O)O
- Cas Id
- Ob Score
- Mol Logp
- 2.0716
- Num H Donors
- 3
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.5870
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
1,3,8-Trihydroxy-2-methoxyxanthone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
1,3,8-trihydroxy-2-methoxyxanthone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
1,3,8-trihydroxy-2-methoxyxanthone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
产伊藤
Role
TCM_name
Source
TCMBank
Preferred
No
Name
CHAN YI TENG
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Cicadawingvine
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
1,3,8-trihydroxy-2-methoxyxanthen-9-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,3,8-trihydroxy-2-methoxyxanthen-9-one
Role
alias
Source
HERB_v2
Preferred
No
Name
93929-99-8
Role
alias
Source
itcmdb_public
Preferred
No
Name
93929-99-8
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL4074069
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL4074069
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
产伊藤CHAN YI TENGCicadawingvine1,3,8-trihydroxy-2-methoxyxanthen-9-one93929-99-8CHEMBL4074069
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN001119
Tcmid
21776
Pub Chem
14756212
Tcmbank
TCMBANKIN049453
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C14H10O6/c1-19-14-7(16)5-9-11(13(14)18)12(17)10-6(15)3-2-4-8(10)20-9/h2-5,15-16,18H,1H3
Mol Wt
274.228
Mol Log P
2.071600000000001
In Ch Ikey
SLPZRZRPLQECGV-UHFFFAOYSA-N
Tcm Name
产伊藤
Tcm Name2
CHAN YI TENG
Mol2 Path
/TCM_database/2007_3d_all/21792.mol2
Reference
5238
Num Hdonors
3
Tcm Name En
Cicadawingvine
Drug Likeness
0.587
Num Hacceptors
6
Isomeric Smiles
COC1=C(C2=C(C=C1O)OC3=CC=CC(=C3C2=O)O)O
Canonical Smiles
COC1=C(C2=C(C=C1O)OC3=CC=CC(=C3C2=O)O)O
Herb Alias Names
CHEMBL40740691,3,8-trihydroxy-2-methoxyxanthen-9-one93929-99-8
Molecular Weight
274.22 g/mol
Molecular Formula
C14H10O6
Num Rotatable Bonds
1