Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 3Ingredient: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 33276
- Core Entity Id
- 40179
- Source Entity Count
- 1
- Preferred Name
- (s)-hygrine
- Name En
- Pubchem Id
- 443144
- Smiles Canonical
- CC(=O)CC1CCCN1C
- Molecular Formula
- C8H15NO
- Molecular Weight
- 141.2140
- Inchikey
- ADKXZIOQKHHDNQ-QMMMGPOBSA-N
- Inchi
- InChI=1S/C8H15NO/c1-7(10)6-8-4-3-5-9(8)2/h8H,3-6H2,1-2H3/t8-/m0/s1
- Isomeric Smiles
- CC(=O)C[C@@H]1CCCN1C
- Cas Id
- 65941-22-2
- Ob Score
- 50.5310
- Mol Logp
- 1.0597
- Num H Donors
- 0
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.5730
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(S)-Hygrine
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
(S)-Hygrine
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
(S)-hygrine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(S)-hygrine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
(s)-hygrine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
(s)-hygrine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(-)-Hygrine
Role
alias
Source
HERB_v2
Preferred
No
Name
(-)-Hygrine
Role
alias
Source
TCMBank
Preferred
No
Name
(S)-(-)-Hygrine
Role
alias
Source
HERB_v2
Preferred
No
Name
(S)-(-)-Hygrine
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-[(2S)-1-methyl-2-pyrrolidinyl]propan-2-one
Role
alias
Source
TCMBank
Preferred
No
Name
1-[(2S)-1-methylpyrrolidin-2-yl]acetone
Role
alias
Source
TCMBank
Preferred
No
Name
1-[(2S)-1-methylpyrrolidin-2-yl]propan-2-one
Role
alias
Source
HERB_v2
Preferred
No
Name
1-[(2S)-1-methylpyrrolidin-2-yl]propan-2-one
Role
alias
Source
TCMBank
Preferred
No
Name
1-[(2S)-1-methylpyrrolidin-2-yl]propan-2-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Propanone, 1-((2S)-1-methyl-2-pyrrolidinyl)-
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Propanone, 1-((2S)-1-methyl-2-pyrrolidinyl)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
5CX6437M9T
Role
alias
Source
HERB_v2
Preferred
No
Name
5CX6437M9T
Role
alias
Source
itcmdb_public
Preferred
No
Name
65941-22-2
Role
alias
Source
HERB_v2
Preferred
No
Name
65941-22-2
Role
alias
Source
TCMBank
Preferred
No
Name
65941-22-2
Role
alias
Source
itcmdb_public
Preferred
No
Name
C11359
Role
alias
Source
TCMBank
Preferred
No
Name
CHEBI:92
Role
alias
Source
TCMBank
Preferred
No
Name
Hygrine, (-)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
L-(-)-Hygrine
Role
alias
Source
HERB_v2
Preferred
No
Name
L-(-)-Hygrine
Role
alias
Source
itcmdb_public
Preferred
No
Name
UNII-5CX6437M9T
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-5CX6437M9T
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(-)-Hygrine(S)-(-)-Hygrine1-[(2S)-1-methyl-2-pyrrolidinyl]propan-2-one1-[(2S)-1-methylpyrrolidin-2-yl]acetone1-[(2S)-1-methylpyrrolidin-2-yl]propan-2-one2-Propanone, 1-((2S)-1-methyl-2-pyrrolidinyl)-5CX6437M9T65941-22-2C11359CHEBI:92Hygrine, (-)-L-(-)-HygrineUNII-5CX6437M9T
Cross References
Trusted external identifiers retained for this final record.
Cas
65941-22-2
Herb
HBIN043946
Npass
NPC164378
Tcmsp
MOL002064
Sym Map
SMIT04375
Pub Chem
443144
Tcmbank
TCMBANKIN008617
Etcm Ingredient
(S)-hygrine
Itcmdb Generated
ITX-INGREDIENT-E8D0E6788479
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C8H15NO/c1-7(10)6-8-4-3-5-9(8)2/h8H,3-6H2,1-2H3/t8-/m0/s1
Mol Wt
141.214
Cas Id
65941-22-2
Smiles
CC(=O)CC1CCCN1C
Mol Log P
1.0597
Version
v1,v2
In Ch Ikey
ADKXZIOQKHHDNQ-QMMMGPOBSA-N
Ob Score
50.53150.53124550.53124516
Suppress
0
Num Hdonors
0
Drug Likeness
0.573
Num Hacceptors
2
Isomeric Smiles
CC(=O)C[C@@H]1CCCN1C
Molecule Weight
141.24
Canonical Smiles
CC(=O)CC1CCCN1C
Herb Alias Names
(-)-Hygrine65941-22-2L-(-)-HygrineHygrine, (-)-(S)-(-)-Hygrine5CX6437M9T1-[(2S)-1-methylpyrrolidin-2-yl]propan-2-oneUNII-5CX6437M9T2-Propanone, 1-((2S)-1-methyl-2-pyrrolidinyl)-
Molecular Weight
141.120
Molecular Weight
141.21
Molecular Formula
C8H15NO
Molecular Formula
C8H15NO
Molecular Formula
C8H15NO
Num Rotatable Bonds
2
Fda Maximum Daily Dose (Fdamdd)
0.276
Quantitative Estimate Of Drug Likeness（Qed）
0.573