Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 66069
- Core Entity Id
- 128718
- Source Entity Count
- 1
- Preferred Name
- 1,3,7-trimethoxyxanthone
- Name En
- Pubchem Id
- 145706
- Smiles Canonical
- COC1=CC2=C(C=C1)OC3=C(C2=O)C(=CC(=C3)OC)OC
- Molecular Formula
- C16H14O5
- Molecular Weight
- 286.0800
- Inchikey
- WEMBDZBXWPOBGL-UHFFFAOYSA-N
- Inchi
- InChI=1S/C16H14O5/c1-18-9-4-5-12-11(6-9)16(17)15-13(20-3)7-10(19-2)8-14(15)21-12/h4-8H,1-3H3
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 2.9000
- Num H Donors
- 0
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 3
- Drug Likeness
- Polar Surface Area
- 54.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
1,3,7-trimethoxyxanthone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
1,3,7-trimethoxyxanthone
Itcmdb Generated
ITX-INGREDIENT-552961D1DB0A
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
286.080
Molecular Formula
C16H14O5
Fda Maximum Daily Dose (Fdamdd)
0.617
Quantitative Estimate Of Drug Likeness（Qed）
0.693