Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 27736
- Core Entity Id
- 34011
- Source Entity Count
- 1
- Preferred Name
- N-methyl lycodine
- Name En
- Pubchem Id
- 5319710
- Smiles Canonical
- CC1CC2CC3=C(C=CC=N3)C4(C1)C2CCCN4C
- Molecular Formula
- C17H24N2
- Molecular Weight
- 256.3930
- Inchikey
- ACTWVCSRWJSTOF-UHFFFAOYSA-N
- Inchi
- InChI=1S/C17H24N2/c1-12-9-13-10-16-15(5-3-7-18-16)17(11-12)14(13)6-4-8-19(17)2/h3,5,7,12-14H,4,6,8-11H2,1-2H3
- Isomeric Smiles
- CC1CC2CC3=C(C=CC=N3)C4(C1)C2CCCN4C
- Cas Id
- Ob Score
- Mol Logp
- 3.2209
- Num H Donors
- 0
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.7080
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
N-Methyl lycodine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
N-Methyllycodine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
N-methyl lycodine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
N-methyl lycodine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
过江龙
Role
TCM_name
Source
TCMBank
Preferred
No
Name
GUO JIANG LONG
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Complanate Clubmoss
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
N-Methyllycodine过江龙GUO JIANG LONGComplanate Clubmoss
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN037103
Npass
NPC288457
Tcmid
1456331655
Pub Chem
5319710
Tcmbank
TCMBANKIN001703
Etcm Ingredient
N-Methyl lycodine
Itcmdb Generated
ITX-INGREDIENT-21B5471C4B5EITX-INGREDIENT-CC5E14F07634
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C17H24N2/c1-12-9-13-10-16-15(5-3-7-18-16)17(11-12)14(13)6-4-8-19(17)2/h3,5,7,12-14H,4,6,8-11H2,1-2H3
Mol Wt
256.3929999999999
Mol Log P
3.220900000000002
In Ch Ikey
ACTWVCSRWJSTOF-UHFFFAOYSA-N
Tcm Name
过江龙
Tcm Name2
GUO JIANG LONG
Mol2 Path
/TCM_database/2007_3d_all/14571.mol2
Reference
1410
Num Hdonors
0
Tcm Name En
Complanate Clubmoss
Drug Likeness
0.708
Num Hacceptors
2
Isomeric Smiles
CC1CC2CC3=C(C=CC=N3)C4(C1)C2CCCN4C
Canonical Smiles
CC1CC2CC3=C(C=CC=N3)C4(C1)C2CCCN4C
Molecular Weight
256.190
Molecular Formula
C17H24N2
Molecular Formula
C17H24N2
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.874
Quantitative Estimate Of Drug Likeness（Qed）
0.708