Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Ingredient: 1Target: 11Links: 17
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 69220
- Core Entity Id
- 131869
- Source Entity Count
- 1
- Preferred Name
- 6-methoxy-1-methyl-9H-pyrido(3,4-b)indole
- Name En
- Pubchem Id
- 5376026
- Smiles Canonical
- CC1=NC=CC2=C1NC3=C2C=C(C=C3)OC
- Molecular Formula
- C13H12N2O
- Molecular Weight
- 212.0900
- Inchikey
- XYYVPBBISSKKQB-UHFFFAOYSA-N
- Inchi
- InChI=1S/C13H12N2O/c1-8-13-10(5-6-14-8)11-7-9(16-2)3-4-12(11)15-13/h3-7,15H,1-2H3
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 3.6000
- Num H Donors
- 1
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 1
- Drug Likeness
- Polar Surface Area
- 37.9000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
6-methoxy-1-methyl-9H-pyrido(3,4-b)indole
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
6-methoxy-1-methyl-9H-pyrido(3,4-b)indole
Itcmdb Generated
ITX-INGREDIENT-9C17155BED48
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
212.090
Molecular Formula
C13H12N2O
Fda Maximum Daily Dose (Fdamdd)
0.900
Quantitative Estimate Of Drug Likeness（Qed）
0.673