Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 4Ingredient: 1Links: 4
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 25562
- Core Entity Id
- 31608
- Source Entity Count
- 1
- Preferred Name
- Mamanine
- Name En
- Pubchem Id
- 3085182
- Smiles Canonical
- C1CCN2CC(CC(C2C1)CO)C3=CC=CC(=O)N3
- Molecular Formula
- C15H22N2O2
- Molecular Weight
- 262.3530
- Inchikey
- JAUFYQKXSPWZRV-YRGRVCCFSA-N
- Inchi
- InChI=1S/C15H22N2O2/c18-10-12-8-11(13-4-3-6-15(19)16-13)9-17-7-2-1-5-14(12)17/h3-4,6,11-12,14,18H,1-2,5,7-10H2,(H,16,19)/t11-,12-,14-/m1/s1
- Isomeric Smiles
- C1CCN2C[C@@H](C[C@@H]([C@H]2C1)CO)C3=CC=CC(=O)N3
- Cas Id
- 60394-92-5
- Ob Score
- 53.0689
- Mol Logp
- 1.3252
- Num H Donors
- 2
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.8450
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Mamanine
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Mamanine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Mamanine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Mamanine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
mamanine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2(1H)-Pyridinone, 6-(octahydro-1-(hydroxymethyl)-2H-quinolizin-3-yl)-, (1alpha,3alpha,9aalpha)-(+)-
Role
alias
Source
HERB_v2
Preferred
No
Name
2(1H)-Pyridinone, 6-(octahydro-1-(hydroxymethyl)-2H-quinolizin-3-yl)-, (1alpha,3alpha,9aalpha)-(+)-
Role
alias
Source
TCMBank
Preferred
No
Name
2(1H)-Pyridinone, 6-(octahydro-1-(hydroxymethyl)-2H-quinolizin-3-yl)-, (1alpha,3alpha,9aalpha)-(+)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
6-[(1S,3R,9AR)-1-(HYDROXYMETHYL)-OCTAHYDRO-1H-QUINOLIZIN-3-YL]-1H-PYRIDIN-2-ONE
Role
alias
Source
TCMBank
Preferred
No
Name
6-[(1S,3R,9aR)-1-(hydroxymethyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-3-yl]-1H-pyridin-2-one
Role
alias
Source
TCMBank
Preferred
No
Name
6-[(1S,3R,9aR)-1-(hydroxymethyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-3-yl]-1H-pyridin-2-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
6-[(1S,3R,9aR)-1-(hydroxymethyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-3-yl]-1H-pyridin-2-one
Role
alias
Source
HERB_v2
Preferred
No
Name
60394-92-5
Role
alias
Source
TCMBank
Preferred
No
Name
60394-92-5
Role
alias
Source
itcmdb_public
Preferred
No
Name
60394-92-5
Role
alias
Source
HERB_v2
Preferred
No
Name
AC1MJ40Q
Role
alias
Source
TCMBank
Preferred
No
Name
AKOS040752921
Role
alias
Source
HERB_v2
Preferred
No
Name
AKOS040752921
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXCID10131637
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXCID10131637
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID90209146
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID90209146
Role
alias
Source
TCMBank
Preferred
No
Name
DTXSID90209146
Role
alias
Source
HERB_v2
Preferred
No
Name
MAMANINE
Role
alias
Source
TCMBank
Preferred
No
Name
SCHEMBL563305
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL563305
Role
alias
Source
TCMBank
Preferred
No
Name
SCHEMBL563305
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
2(1H)-Pyridinone, 6-(octahydro-1-(hydroxymethyl)-2H-quinolizin-3-yl)-, (1alpha,3alpha,9aalpha)-(+)-6-[(1S,3R,9AR)-1-(HYDROXYMETHYL)-OCTAHYDRO-1H-QUINOLIZIN-3-YL]-1H-PYRIDIN-2-ONE6-[(1S,3R,9aR)-1-(hydroxymethyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-3-yl]-1H-pyridin-2-one60394-92-5AC1MJ40QAKOS040752921DTXCID10131637DTXSID90209146SCHEMBL563305
Cross References
Trusted external identifiers retained for this final record.
Cas
60394-92-5
Herb
HBIN034370
Npass
NPC63684
Tcmid
13455
Tcmsp
MOL006629
Sym Map
SMIT00651
Pub Chem
3085182
Tcmbank
TCMBANKIN004369
Etcm Ingredient
Mamanine
Itcmdb Generated
ITX-INGREDIENT-2A2CD1F193DB
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C15H22N2O2/c18-10-12-8-11(13-4-3-6-15(19)16-13)9-17-7-2-1-5-14(12)17/h3-4,6,11-12,14,18H,1-2,5,7-10H2,(H,16,19)/t11-,12-,14-/m1/s1
Mol Wt
262.353
Cas Id
60394-92-5
Smiles
C1CCN2CC(CC(C2C1)CO)C3=CC=CC(=O)N3
Mol Log P
1.3252
Version
v1,v2
In Ch Ikey
JAUFYQKXSPWZRV-YRGRVCCFSA-N
Ob Score
53.0688895253.0688953.069
Suppress
0
Num Hdonors
2
Drug Likeness
0.845
Num Hacceptors
3
Isomeric Smiles
C1CCN2C[C@@H](C[C@@H]([C@H]2C1)CO)C3=CC=CC(=O)N3
Molecule Weight
262.39
Canonical Smiles
C1CCN2CC(CC(C2C1)CO)C3=CC=CC(=O)N3
Herb Alias Names
60394-92-56-[(1S,3R,9aR)-1-(hydroxymethyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-3-yl]-1H-pyridin-2-one2(1H)-Pyridinone, 6-(octahydro-1-(hydroxymethyl)-2H-quinolizin-3-yl)-, (1alpha,3alpha,9aalpha)-(+)-DTXSID902091466-((1S,3R,9aR)-1-(hydroxymethyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-3-yl)-1H-pyridin-2-oneSCHEMBL563305DTXCID10131637AKOS040752921
Molecular Weight
262.170
Molecular Weight
262.35
Molecule Formula
C15H22N2O2
Molecular Formula
C15H22N2O2
Molecular Formula
C15H22N2O2
Molecular Formula
C15H22N2O2
Num Rotatable Bonds
2
Fda Maximum Daily Dose (Fdamdd)
0.902
Quantitative Estimate Of Drug Likeness（Qed）
0.845