Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 8Ingredient: 1Links: 8
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 25192
- Core Entity Id
- 31194
- Source Entity Count
- 1
- Preferred Name
- Lycodoline
- Name En
- Pubchem Id
- 12312555
- Smiles Canonical
- CC1CC2CC(=O)C3CCCN4C3(C1)C2(CCC4)O
- Molecular Formula
- C16H25NO2
- Molecular Weight
- 263.3810
- Inchikey
- DBMXKPOCXQNWOQ-WALBABNVSA-N
- Inchi
- InChI=1S/C16H25NO2/c1-11-8-12-9-14(18)13-4-2-6-17-7-3-5-16(12,19)15(13,17)10-11/h11-13,19H,2-10H2,1H3/t11-,12+,13-,15+,16+/m1/s1
- Isomeric Smiles
- C[C@@H]1C[C@H]2CC(=O)[C@H]3CCCN4[C@]3(C1)[C@@]2(CCC4)O
- Cas Id
- Ob Score
- Mol Logp
- 1.9810
- Num H Donors
- 1
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.7260
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Lycodoline
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Lycodoline
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Lycodoline
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Lycodoline
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
lycodoline
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(1S,2S,10S,13S,15R)-2-hydroxy-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadecan-11-one
Role
alias
Source
HERB_v2
Preferred
No
Name
(1S,2S,10S,13S,15R)-2-hydroxy-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadecan-11-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
6900-92-1
Role
alias
Source
itcmdb_public
Preferred
No
Name
6900-92-1
Role
alias
Source
HERB_v2
Preferred
No
Name
AKOS040760537
Role
alias
Source
itcmdb_public
Preferred
No
Name
AKOS040760537
Role
alias
Source
HERB_v2
Preferred
No
Name
Ambotz6900-92-1
Role
alias
Source
TCMBank
Preferred
No
Name
CS-0135546
Role
alias
Source
HERB_v2
Preferred
No
Name
CS-0135546
Role
alias
Source
itcmdb_public
Preferred
No
Name
FS-6992
Role
alias
Source
itcmdb_public
Preferred
No
Name
FS-6992
Role
alias
Source
HERB_v2
Preferred
No
Name
HY-N7708
Role
alias
Source
HERB_v2
Preferred
No
Name
HY-N7708
Role
alias
Source
itcmdb_public
Preferred
No
Name
NS00094247
Role
alias
Source
HERB_v2
Preferred
No
Name
NS00094247
Role
alias
Source
itcmdb_public
Preferred
No
Name
Q-100775
Role
alias
Source
HERB_v2
Preferred
No
Name
Q-100775
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(1S,2S,10S,13S,15R)-2-hydroxy-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadecan-11-one6900-92-1AKOS040760537Ambotz6900-92-1CS-0135546FS-6992HY-N7708NS00094247Q-100775
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN033940
Npass
NPC126813
Tcmid
13184
Sym Map
SMIT16375
Pub Chem
12312555
Tcmbank
TCMBANKIN016058
Etcm Ingredient
Lycodoline
Itcmdb Generated
ITX-INGREDIENT-2B98053153B2
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients,Metabolic ingredients
In Ch I
InChI=1S/C16H25NO2/c1-11-8-12-9-14(18)13-4-2-6-17-7-3-5-16(12,19)15(13,17)10-11/h11-13,19H,2-10H2,1H3/t11-,12+,13-,15+,16+/m1/s1
Mol Wt
263.3809999999999
Smiles
CC1CC2CC(=O)C3CCCN4C3(C1)C2(CCC4)O
Mol Log P
1.981
Version
v1,v2
In Ch Ikey
DBMXKPOCXQNWOQ-WALBABNVSA-N
Suppress
0
Num Hdonors
1
Drug Likeness
0.726
Num Hacceptors
3
Isomeric Smiles
C[C@@H]1C[C@H]2CC(=O)[C@H]3CCCN4[C@]3(C1)[C@@]2(CCC4)O
Canonical Smiles
CC1CC2CC(=O)C3CCCN4C3(C1)C2(CCC4)O
Herb Alias Names
6900-92-1(1S,2S,10S,13S,15R)-2-hydroxy-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadecan-11-oneHY-N7708AKOS040760537FS-6992CS-0135546NS00094247Q-100775
Molecular Weight
263.190
Molecular Weight
263.37 g/mol
Molecular Formula
C16H25NO2
Molecular Formula
C16H25NO2
Molecular Formula
C16H25NO2
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.942
Quantitative Estimate Of Drug Likeness（Qed）
0.726