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
- 69719
- Core Entity Id
- 132368
- Source Entity Count
- 1
- Preferred Name
- acacetin-7-O-glucuronide methyl ester
- Name En
- Pubchem Id
- 5488681
- Smiles Canonical
- COC1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)C(=O)OC)O)O)O)O
- Molecular Formula
- C23H22O11
- Molecular Weight
- 474.1200
- Inchikey
- NCDRCVIENURMRZ-XURRJDJLSA-N
- Inchi
- InChI=1S/C23H22O11/c1-30-11-5-3-10(4-6-11)15-9-14(25)17-13(24)7-12(8-16(17)33-15)32-23-20(28)18(26)19(27)21(34-23)22(29)31-2/h3-9,18-21,23-24,26-28H,1-2H3/t18-,19-,20+,21-,23?/m0/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 1.8000
- Num H Donors
- 4
- Num H Acceptors
- 11
- Num Rotatable Bonds
- 6
- Drug Likeness
- Polar Surface Area
- 161.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
acacetin-7-O-glucuronide methyl ester
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
acacetin-7-O-glucuronide methyl ester
Itcmdb Generated
ITX-INGREDIENT-6A491E2AD387
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
474.120
Molecular Formula
C23H22O11
Fda Maximum Daily Dose (Fdamdd)
0.033
Quantitative Estimate Of Drug Likeness（Qed）
0.381