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
- 21798
- Core Entity Id
- 27415
- Source Entity Count
- 1
- Preferred Name
- Hydroxymuscopyridine a
- Name En
- Pubchem Id
- 184938
- Smiles Canonical
- CC1CCCCCCCC(C2=CC=CC(=N2)C1)O
- Molecular Formula
- C16H25NO
- Molecular Weight
- 247.3820
- Inchikey
- FPDSMLMTMDHJQT-UHFFFAOYSA-N
- Inchi
- InChI=1S/C16H25NO/c1-13-8-5-3-2-4-6-11-16(18)15-10-7-9-14(12-13)17-15/h7,9-10,13,16,18H,2-6,8,11-12H2,1H3
- Isomeric Smiles
- CC1CCCCCCCC(C2=CC=CC(=N2)C1)O
- Cas Id
- Ob Score
- Mol Logp
- 4.0379
- Num H Donors
- 1
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.7500
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Hydroxymuscopyridine A
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Hydroxymuscopyridine a
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Hydroxymuscopyridine a
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
hydroxymuscopyridine a
Role
preferred
Source
TCMBank
Preferred
Yes
Name
10-methyl-16-azabicyclo[10.3.1]hexadeca-1(15),12(16),13-trien-2-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
10-methyl-16-azabicyclo[10.3.1]hexadeca-1(15),12(16),13-trien-2-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
10-methyl-16-azabicyclo[10.3.1]hexadeca-1(16),12,14-trien-2-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
10-methyl-16-azabicyclo[10.3.1]hexadeca-1(16),12,14-trien-2-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
89368-39-8
Role
alias
Source
HERB_v2
Preferred
No
Name
89368-39-8
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:229142
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:229142
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID801008774
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID801008774
Role
alias
Source
itcmdb_public
Preferred
No
Name
Hydroxymuscopyridine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
hydroxymuscopyridine
Role
preferred
Source
TCMBank
Preferred
Yes
Aliases
Additional names normalized into the restored final schema.
10-methyl-16-azabicyclo[10.3.1]hexadeca-1(15),12(16),13-trien-2-ol10-methyl-16-azabicyclo[10.3.1]hexadeca-1(16),12,14-trien-2-ol89368-39-8CHEBI:229142DTXSID801008774Hydroxymuscopyridine
Cross References
Trusted external identifiers retained for this final record.
Cas
89368-39-8
Herb
HBIN029742HBIN029741
Npass
NPC281855
Tcmid
10531
Sym Map
SMIT24542
Tcm Id
3640
Pub Chem
184938
Tcmbank
TCMBANKIN023929TCMBANKIN033945
Itcmdb Generated
ITX-INGREDIENT-7890A2C98713
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C16H25NO/c1-13-8-5-3-2-4-6-11-16(18)15-10-7-9-14(12-13)17-15/h7,9-10,13,16,18H,2-6,8,11-12H2,1H3
Mol Wt
247.382
Smiles
CC1CCCCCCCC(C2=CC=CC(=N2)C1)O
Mol Log P
4.037900000000004
Version
v2
In Ch Ikey
FPDSMLMTMDHJQT-UHFFFAOYSA-N
Suppress
0
Num Hdonors
1
Drug Likeness
0.75
Num Hacceptors
2
Isomeric Smiles
CC1CCCCCCCC(C2=CC=CC(=N2)C1)O
Canonical Smiles
CC1CCCCCCCC(C2=CC=CC(=N2)C1)O
Herb Alias Names
89368-39-8CHEBI:229142DTXSID80100877410-methyl-16-azabicyclo[10.3.1]hexadeca-1(16),12,14-trien-2-ol10-methyl-16-azabicyclo[10.3.1]hexadeca-1(15),12(16),13-trien-2-ol
Molecular Weight
247.38 g/mol
Molecular Formula
C16H25NO
Molecular Formula
C16H25NO
Num Rotatable Bonds
0