Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
Click a node to open it in a new tab
Herb: 2Ingredient: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 64383
- Core Entity Id
- 111401
- Source Entity Count
- 1
- Preferred Name
- N-Methyltetrahydrocolumbamine
- Name En
- Pubchem Id
- 15378248
- Smiles Canonical
- C[N+]12CCC3=CC(=C(C=C3C1CC4=C(C2)C(=C(C=C4)OC)OC)O)OC
- Molecular Formula
- C21H26NO4+
- Molecular Weight
- 356.4000
- Inchikey
- SXSWKAREZLTMEN-LBOXEOMUSA-O
- Inchi
- InChI=1S/C21H25NO4/c1-22-8-7-14-10-20(25-3)18(23)11-15(14)17(22)9-13-5-6-19(24-2)21(26-4)16(13)12-22/h5-6,10-11,17H,7-9,12H2,1-4H3/p+1/t17-,22?/m0/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 2.9000
- Num H Donors
- 1
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 3
- Drug Likeness
- Polar Surface Area
- 47.9000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
N-Methyltetrahydrocolumbamine
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
N-Methyltetrahydrocolumbamine
Role
preferred
Source
SymMap_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Sym Map
SMIT25628
Itcmdb Generated
ITX-INGREDIENT-7E7440D7C81D
Attributes
Merged source attributes and domain-specific metadata.
Type
Blood ingredients,Metabolic ingredients
Version
v2
Suppress
0