Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 3Ingredient: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 60137
- Core Entity Id
- 107155
- Source Entity Count
- 1
- Preferred Name
- Dihydrorutaecarpine
- Name En
- Pubchem Id
- 13970999
- Smiles Canonical
- Molecular Formula
- C18H15N3O
- Molecular Weight
- 289.1200
- Inchikey
- PGXSQYLWBYMSFV-UHFFFAOYSA-N
- Inchi
- InChI=1S/C18H15N3O/c22-18-13-6-2-4-8-15(13)20-17-16-12(9-10-21(17)18)11-5-1-3-7-14(11)19-16/h1-8,17,19-20H,9-10H2
- Isomeric Smiles
- Cas Id
- Ob Score
- 42.2669
- Mol Logp
- 3.0000
- Num H Donors
- 2
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 0
- Drug Likeness
- Polar Surface Area
- 48.1000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Dihydrorutaecarpine
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Dihydrorutaecarpine
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
dihydrorutaecarpine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Cas
59863-00-2
Tcmid
24862
Tcmsp
MOL003956
Sym Map
SMIT00337
Tcm Id
4916
Etcm Ingredient
dihydrorutaecarpine
Itcmdb Generated
ITX-INGREDIENT-445C776421A8ITX-INGREDIENT-D91507C40A57
Attributes
Merged source attributes and domain-specific metadata.
Type
Blood ingredients,Other ingredients
Version
v1,v2
Ob Score
42.26686143
Suppress
0
Molecule Weight
289.36
Molecular Weight
289.120
Molecular Formula
C18H15N3O
Fda Maximum Daily Dose (Fdamdd)
0.945
Quantitative Estimate Of Drug Likeness（Qed）
0.667