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
- 1347
- Core Entity Id
- 4690
- Source Entity Count
- 1
- Preferred Name
- 2,7-dihydroxy-1-methoxyxanthone
- Name En
- Pubchem Id
- 11623029
- Smiles Canonical
- COC1=C(C=CC2=C1C(=O)C3=C(O2)C=CC(=C3)O)O
- Molecular Formula
- C14H10O5
- Molecular Weight
- 258.2290
- Inchikey
- NMIUUTLHKYHOBS-UHFFFAOYSA-N
- Inchi
- InChI=1S/C14H10O5/c1-18-14-9(16)3-5-11-12(14)13(17)8-6-7(15)2-4-10(8)19-11/h2-6,15-16H,1H3
- Isomeric Smiles
- COC1=C(C=CC2=C1C(=O)C3=C(O2)C=CC(=C3)O)O
- Cas Id
- Ob Score
- Mol Logp
- 2.3660
- Num H Donors
- 2
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.6550
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2,7-Dihydroxy-1-methoxyxanthone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2,7-dihydroxy-1-methoxyxanthone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
2,7-dihydroxy-1-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
CHEMBL4085362
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL4085362
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
产伊藤CHAN YI TENGCicadawingvineCHEMBL4085362
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN005006
Tcmid
6012
Pub Chem
11623029
Tcmbank
TCMBANKIN045454
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C14H10O5/c1-18-14-9(16)3-5-11-12(14)13(17)8-6-7(15)2-4-10(8)19-11/h2-6,15-16H,1H3
Mol Wt
258.229
Mol Log P
2.366000000000001
In Ch Ikey
NMIUUTLHKYHOBS-UHFFFAOYSA-N
Tcm Name
产伊藤
Tcm Name2
CHAN YI TENG
Mol2 Path
/TCM_database/2007_3d_all/06013.mol2
Reference
5238
Num Hdonors
2
Tcm Name En
Cicadawingvine
Drug Likeness
0.655
Num Hacceptors
5
Isomeric Smiles
COC1=C(C=CC2=C1C(=O)C3=C(O2)C=CC(=C3)O)O
Canonical Smiles
COC1=C(C=CC2=C1C(=O)C3=C(O2)C=CC(=C3)O)O
Herb Alias Names
CHEMBL4085362
Molecular Formula
C14H10O5
Num Rotatable Bonds
1