Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 2Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 69718
- Core Entity Id
- 132367
- Source Entity Count
- 1
- Preferred Name
- acacetin-7-O-glucoside
- Name En
- Pubchem Id
- 5321954
- Smiles Canonical
- COC1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O
- Molecular Formula
- C22H22O10
- Molecular Weight
- 446.1200
- Inchikey
- NLZCOTZRUWYPTP-MIUGBVLSSA-N
- Inchi
- InChI=1S/C22H22O10/c1-29-11-4-2-10(3-5-11)15-8-14(25)18-13(24)6-12(7-16(18)31-15)30-22-21(28)20(27)19(26)17(9-23)32-22/h2-8,17,19-24,26-28H,9H2,1H3/t17-,19-,20+,21-,22-/m1/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 0.3000
- Num H Donors
- 5
- Num H Acceptors
- 10
- Num Rotatable Bonds
- 5
- Drug Likeness
- Polar Surface Area
- 155.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
acacetin-7-O-glucoside
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
acacetin-7-O-glucoside
Itcmdb Generated
ITX-INGREDIENT-55B029036973
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
446.120
Molecular Formula
C22H22O10
Fda Maximum Daily Dose (Fdamdd)
0.021
Quantitative Estimate Of Drug Likeness（Qed）
0.370