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: 5
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 65001
- Core Entity Id
- 127650
- Source Entity Count
- 1
- Preferred Name
- (-)-(2R,3R)-secoisolariciresinol
- Name En
- Pubchem Id
- 44566585
- Smiles Canonical
- COC1=C(C=CC(=C1)CC(CO)C(CO)C(C2=CC(=C(C=C2)O)OC)O)O
- Molecular Formula
- C20H26O7
- Molecular Weight
- 378.1700
- Inchikey
- VPDBTIFHPUYJJJ-HGUAOMBGSA-N
- Inchi
- InChI=1S/C20H26O7/c1-26-18-8-12(3-5-16(18)23)7-14(10-21)15(11-22)20(25)13-4-6-17(24)19(9-13)27-2/h3-6,8-9,14-15,20-25H,7,10-11H2,1-2H3/t14-,15-,20?/m0/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 1.4000
- Num H Donors
- 5
- Num H Acceptors
- 7
- Num Rotatable Bonds
- 9
- Drug Likeness
- Polar Surface Area
- 120.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(-)-(2R,3R)-secoisolariciresinol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
(-)-(2R,3R)-secoisolariciresinol
Itcmdb Generated
ITX-INGREDIENT-CDAF990418EB
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
378.170
Molecular Formula
C20H26O7
Fda Maximum Daily Dose (Fdamdd)
0.037
Quantitative Estimate Of Drug Likeness（Qed）
0.450