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
- 14505
- Core Entity Id
- 19288
- Source Entity Count
- 1
- Preferred Name
- Cinchonamine
- Name En
- Pubchem Id
- 46173818
- Smiles Canonical
- C=CC1CN2CCC1CC2C3=C(C4=CC=CC=C4N3)CCO
- Molecular Formula
- C19H24N2O
- Molecular Weight
- 296.4140
- Inchikey
- YAUKSCGKZYUZRH-DEYYWGMASA-N
- Inchi
- InChI=1S/C19H24N2O/c1-2-13-12-21-9-7-14(13)11-18(21)19-16(8-10-22)15-5-3-4-6-17(15)20-19/h2-6,13-14,18,20,22H,1,7-12H2/t13-,14-,18-/m0/s1
- Isomeric Smiles
- C=C[C@H]1CN2CC[C@H]1C[C@H]2C3=C(C4=CC=CC=C4N3)CCO
- Cas Id
- Ob Score
- Mol Logp
- 3.2716
- Num H Donors
- 2
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 4
- Drug Likeness
- 0.8500
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Cinchonamine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Cinchonamine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Cinchonamine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
cinchonamine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(+)-CINCHONAMINE
Role
alias
Source
HERB_v2
Preferred
No
Name
(+)-CINCHONAMINE
Role
alias
Source
itcmdb_public
Preferred
No
Name
CFD7DB0MUF
Role
alias
Source
HERB_v2
Preferred
No
Name
CFD7DB0MUF
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:141885
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:141885
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL2373681
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL2373681
Role
alias
Source
HERB_v2
Preferred
No
Name
CINCHONAMINE [MI]
Role
alias
Source
itcmdb_public
Preferred
No
Name
CINCHONAMINE [MI]
Role
alias
Source
HERB_v2
Preferred
No
Name
Cinchonamine HCl
Role
alias
Source
itcmdb_public
Preferred
No
Name
Cinchonamine HCl
Role
alias
Source
HERB_v2
Preferred
No
Name
EINECS 207-579-0
Role
alias
Source
itcmdb_public
Preferred
No
Name
EINECS 207-579-0
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-CFD7DB0MUF
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-CFD7DB0MUF
Role
alias
Source
itcmdb_public
Preferred
No
Name
YAUKSCGKZYUZRH-DEYYWGMASA-N
Role
alias
Source
HERB_v2
Preferred
No
Name
YAUKSCGKZYUZRH-DEYYWGMASA-N
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(+)-CINCHONAMINECFD7DB0MUFCHEBI:141885CHEMBL2373681CINCHONAMINE [MI]Cinchonamine HClEINECS 207-579-0UNII-CFD7DB0MUFYAUKSCGKZYUZRH-DEYYWGMASA-N
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN020632
Tcmid
3682
Pub Chem
4617381894151
Tcmbank
TCMBANKIN008659
Etcm Ingredient
Cinchonamine
Itcmdb Generated
ITX-INGREDIENT-B10881576210
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C19H24N2O/c1-2-13-12-21-9-7-14(13)11-18(21)19-16(8-10-22)15-5-3-4-6-17(15)20-19/h2-6,13-14,18,20,22H,1,7-12H2/t13-,14-,18-/m0/s1
Mol Wt
296.4140000000001
Smiles
C=CC1CN2CCC1CC2C3=C(C4=CC=CC=C4N3)CCO
Mol Log P
3.271600000000002
In Ch Ikey
YAUKSCGKZYUZRH-DEYYWGMASA-N
Num Hdonors
2
Drug Likeness
0.85
Num Hacceptors
2
Isomeric Smiles
C=C[C@H]1CN2CC[C@H]1C[C@H]2C3=C(C4=CC=CC=C4N3)CCO
Canonical Smiles
C=CC1CN2CCC1CC2C3=C(C4=CC=CC=C4N3)CCO
Herb Alias Names
CFD7DB0MUFUNII-CFD7DB0MUFCinchonamine HClEINECS 207-579-0CINCHONAMINE [MI](+)-CINCHONAMINECHEMBL2373681CHEBI:141885YAUKSCGKZYUZRH-DEYYWGMASA-N
Molecular Weight
296.190
Molecular Weight
296.4 g/mol
Molecular Formula
C19H24N2O
Molecular Formula
C19H24N2O
Molecular Formula
C19H24N2O
Num Rotatable Bonds
4
Fda Maximum Daily Dose (Fdamdd)
0.949
Quantitative Estimate Of Drug Likeness（Qed）
0.850