Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Ingredient: 1Target: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 68778
- Core Entity Id
- 131427
- Source Entity Count
- 1
- Preferred Name
- 5,3',5'-trihydroxy-6,7,4'-trimethoxyflavone
- Name En
- Pubchem Id
- 21581557
- Smiles Canonical
- COC1=C(C(=C2C(=C1)OC(=CC2=O)C3=CC(=C(C(=C3)O)OC)O)O)OC
- Molecular Formula
- C18H16O8
- Molecular Weight
- 360.0800
- Inchikey
- MDBCIIGAFMRLQN-UHFFFAOYSA-N
- Inchi
- InChI=1S/C18H16O8/c1-23-14-7-13-15(16(22)18(14)25-3)9(19)6-12(26-13)8-4-10(20)17(24-2)11(21)5-8/h4-7,20-22H,1-3H3
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 2.6000
- Num H Donors
- 3
- Num H Acceptors
- 8
- Num Rotatable Bonds
- 4
- Drug Likeness
- Polar Surface Area
- 115.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
5,3',5'-trihydroxy-6,7,4'-trimethoxyflavone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
5,3',5'-trihydroxy-6,7,4'-trimethoxyflavone
Itcmdb Generated
ITX-INGREDIENT-C47FA93D8D72
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
360.080
Molecular Formula
C18H16O8
Fda Maximum Daily Dose (Fdamdd)
0.212
Quantitative Estimate Of Drug Likeness（Qed）
0.650