Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Trial: 1Herb: 3Ingredient: 1Target: 12Links: 16
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 10551
- Core Entity Id
- 14890
- Source Entity Count
- 1
- Preferred Name
- Amantadine
- Name En
- Pubchem Id
- 2130
- Smiles Canonical
- C1C2CC3CC1CC(C2)(C3)N
- Molecular Formula
- C10H17N
- Molecular Weight
- 151.2530
- Inchikey
- DKNWSYNQZKUICI-UHFFFAOYSA-N
- Inchi
- InChI=1S/C10H17N/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6,11H2
- Isomeric Smiles
- C1C2CC3CC1CC(C2)(C3)N
- Cas Id
- Ob Score
- 69.6979
- Mol Logp
- 1.9139
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.5620
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Amantadine
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Amantadine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Amantadine
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Amantadine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
amantadine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
amantadine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
1-Adamantanamine
Role
alias
Source
HERB_v2
Preferred
No
Name
1-Adamantanamine
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-Adamantylamine
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-Adamantylamine
Role
alias
Source
HERB_v2
Preferred
No
Name
1-Aminoadamantane
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-Aminoadamantane
Role
alias
Source
HERB_v2
Preferred
No
Name
768-94-5
Role
alias
Source
HERB_v2
Preferred
No
Name
768-94-5
Role
alias
Source
itcmdb_public
Preferred
No
Name
Adamantanamine
Role
alias
Source
itcmdb_public
Preferred
No
Name
Adamantanamine
Role
alias
Source
HERB_v2
Preferred
No
Name
Adamantylamine
Role
alias
Source
itcmdb_public
Preferred
No
Name
Adamantylamine
Role
alias
Source
HERB_v2
Preferred
No
Name
Amantidine
Role
alias
Source
itcmdb_public
Preferred
No
Name
Amantidine
Role
alias
Source
HERB_v2
Preferred
No
Name
Aminoadamantane
Role
alias
Source
HERB_v2
Preferred
No
Name
Aminoadamantane
Role
alias
Source
itcmdb_public
Preferred
No
Name
adamantan-1-amine
Role
alias
Source
HERB_v2
Preferred
No
Name
adamantan-1-amine
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
1-Adamantanamine1-Adamantylamine1-Aminoadamantane768-94-5AdamantanamineAdamantylamineAmantidineAminoadamantaneadamantan-1-amine
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN015804
Npass
NPC483992
Tcmsp
MOL001216
Sym Map
SMIT03666
Pub Chem
2130
Tcmbank
TCMBANKIN017190
Drug Bank
DB00915
Etcm Ingredient
amantadine
Itcmdb Generated
ITX-INGREDIENT-0C5C946FDD11
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C10H17N/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6,11H2
Mol Wt
151.253
Smiles
C1C2CC3CC1CC(C2)(C3)N
Mol Log P
1.9139
Version
v1,v2
In Ch Ikey
DKNWSYNQZKUICI-UHFFFAOYSA-N
Ob Score
69.69794969.6979492769.698
Suppress
0
Num Hdonors
1
Drug Likeness
0.562
Num Hacceptors
1
Isomeric Smiles
C1C2CC3CC1CC(C2)(C3)N
Molecule Weight
151.28
Canonical Smiles
C1C2CC3CC1CC(C2)(C3)N
Herb Alias Names
1-Adamantanamine768-94-5adamantan-1-amine1-Adamantylamine1-AminoadamantaneAdamantanamineAdamantylamineAminoadamantaneAmantidine
Molecular Weight
151.140
Molecular Weight
151.25 g/mol
Molecular Formula
C10H17N
Molecular Formula
C10H17N
Molecular Formula
C10H17N
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.086
Quantitative Estimate Of Drug Likeness（Qed）
0.562