Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 3Ingredient: 1Target: 1Links: 5
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 38285
- Core Entity Id
- 63409
- Source Entity Count
- 1
- Preferred Name
- 1,3,7-trihydroxyl-8-methoxyxanthone
- Name En
- Pubchem Id
- 91300928
- Smiles Canonical
- COC1=C2C(=CC(=C1)O)C(=O)C3=C(C=C(C=C3O2)O)O
- Molecular Formula
- C14H10O6
- Molecular Weight
- 274.2280
- Inchikey
- LRDAYQOJNLILTQ-UHFFFAOYSA-N
- Inchi
- InChI=1S/C14H10O6/c1-19-11-5-6(15)2-8-13(18)12-9(17)3-7(16)4-10(12)20-14(8)11/h2-5,15-17H,1H3
- Isomeric Smiles
- COC1=CC(=CC2=C1OC3=CC(=CC(=C3C2=O)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
1,3,7-Trihydroxyl-8-methoxyxanthone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
1,3,7-trihydroxyl-8-methoxyxanthone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
1,3,7-trihydroxyl-8-methoxyxanthone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
1,3,7-trihydroxyl-8-methoxyxanthone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
1,3,7-trihydroxy-5-methoxy-9h-xanthen-9-one
Role
alias
Source
HERB_v2
Preferred
No
Name
1,3,7-trihydroxy-5-methoxy-9h-xanthen-9-one
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
1,3,7-trihydroxy-5-methoxy-9h-xanthen-9-one
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN001114
Tcmid
21746
Pub Chem
91300928
Tcmbank
TCMBANKIN034875
Etcm Ingredient
1,3,7-Trihydroxyl-8-methoxyxanthone
Itcmdb Generated
ITX-INGREDIENT-015CE3EDB33D
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C14H10O6/c1-19-11-5-6(15)2-8-13(18)12-9(17)3-7(16)4-10(12)20-14(8)11/h2-5,15-17H,1H3
Mol Wt
274.228
Smiles
COC1=C2C(=CC(=C1)O)C(=O)C3=C(C=C(C=C3O2)O)O
Mol Log P
2.071600000000001
In Ch Ikey
LRDAYQOJNLILTQ-UHFFFAOYSA-N
Num Hdonors
3
Drug Likeness
0.587
Num Hacceptors
6
Isomeric Smiles
COC1=CC(=CC2=C1OC3=CC(=CC(=C3C2=O)O)O)O
Canonical Smiles
COC1=CC(=CC2=C1OC3=CC(=CC(=C3C2=O)O)O)O
Herb Alias Names
1,3,7-trihydroxy-5-methoxy-9h-xanthen-9-one
Molecular Weight
274.050
Molecular Formula
C14H10O6
Molecular Formula
C14H10O6
Molecular Formula
C14H10O6
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.411
Quantitative Estimate Of Drug Likeness（Qed）
0.587