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
- 66941
- Core Entity Id
- 129590
- Source Entity Count
- 1
- Preferred Name
- 2,3-Dihydroamentoflavone 7,4'-dimethyl ether
- Name En
- Pubchem Id
- 11613892
- Smiles Canonical
- COC1=C(C=C(C=C1)C2CC(=O)C3=C(C=C(C=C3O2)OC)O)C4=C(C=C(C5=C4OC(=CC5=O)C6=CC=C(C=C6)O)O)O
- Molecular Formula
- C32H24O10
- Molecular Weight
- 568.1400
- Inchikey
- FADCDEPVRJSRTJ-MHZLTWQESA-N
- Inchi
- InChI=1S/C32H24O10/c1-39-18-10-20(34)30-23(37)13-27(41-28(30)11-18)16-5-8-25(40-2)19(9-16)29-21(35)12-22(36)31-24(38)14-26(42-32(29)31)15-3-6-17(33)7-4-15/h3-12,14,27,33-36H,13H2,1-2H3/t27-/m0/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 5.4000
- Num H Donors
- 4
- Num H Acceptors
- 10
- Num Rotatable Bonds
- 5
- Drug Likeness
- Polar Surface Area
- 152.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2,3-Dihydroamentoflavone 7,4'-dimethyl ether
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
2,3-Dihydroamentoflavone 7,4'-dimethyl ether
Itcmdb Generated
ITX-INGREDIENT-DEFE76C6A31B
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
568.140
Molecular Formula
C32H24O10
Fda Maximum Daily Dose (Fdamdd)
0.873
Quantitative Estimate Of Drug Likeness（Qed）
0.208