Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 5Ingredient: 1Target: 4Links: 9
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 9643
- Core Entity Id
- 13886
- Source Entity Count
- 1
- Preferred Name
- Adamantane
- Name En
- Pubchem Id
- 9238
- Smiles Canonical
- C1C2CC3CC1CC(C2)C3
- Molecular Formula
- C10H16
- Molecular Weight
- 136.2380
- Inchikey
- ORILYTVJVMAKLC-UHFFFAOYSA-N
- Inchi
- InChI=1S/C10H16/c1-7-2-9-4-8(1)5-10(3-7)6-9/h7-10H,1-6H2
- Isomeric Smiles
- C1C2CC3CC1CC(C2)C3
- Cas Id
- 281-23-2
- Ob Score
- 53.5670
- Mol Logp
- 2.8326
- Num H Donors
- 0
- Num H Acceptors
- 0
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.4800
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Adamantane
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Adamantane
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Adamantane
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Adamantane
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
adamantane
Role
preferred
Source
TCMBank
Preferred
Yes
Name
adamantane
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
281-23-2
Role
alias
Source
itcmdb_public
Preferred
No
Name
281-23-2
Role
alias
Source
HERB_v2
Preferred
No
Name
Adamantan
Role
alias
Source
itcmdb_public
Preferred
No
Name
Adamantan
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:40519
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:40519
Role
alias
Source
HERB_v2
Preferred
No
Name
MFCD00074719
Role
alias
Source
itcmdb_public
Preferred
No
Name
MFCD00074719
Role
alias
Source
HERB_v2
Preferred
No
Name
PJY633525U
Role
alias
Source
HERB_v2
Preferred
No
Name
PJY633525U
Role
alias
Source
itcmdb_public
Preferred
No
Name
Tricyclo[3.3.1.13,7]decane
Role
alias
Source
HERB_v2
Preferred
No
Name
tricyclo[3.3.1.1~3,7~]decane
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
281-23-2AdamantanCHEBI:40519MFCD00074719PJY633525UTricyclo[3.3.1.13,7]decanetricyclo[3.3.1.1~3,7~]decane
Cross References
Trusted external identifiers retained for this final record.
Cas
281-23-2
Herb
HBIN014670
Tcmsp
MOL007209
Sym Map
SMIT08688
Pub Chem
9238
Tcmbank
TCMBANKIN004150
Etcm Ingredient
adamantane
Itcmdb Generated
ITX-INGREDIENT-9401DEFCDFB0
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C10H16/c1-7-2-9-4-8(1)5-10(3-7)6-9/h7-10H,1-6H2
Mol Wt
136.238
Cas Id
281-23-2
Smiles
C1C2CC3CC1CC(C2)C3
Mol Log P
2.832600000000001
Version
v1,v2
In Ch Ikey
ORILYTVJVMAKLC-UHFFFAOYSA-N
Ob Score
53.56753.56733
Suppress
0
Num Hdonors
0
Drug Likeness
0.48
Num Hacceptors
0
Isomeric Smiles
C1C2CC3CC1CC(C2)C3
Molecule Weight
136.26
Canonical Smiles
C1C2CC3CC1CC(C2)C3
Herb Alias Names
281-23-2Tricyclo[3.3.1.13,7]decaneAdamantanTricyclo[3.3.1.1(3,7)]decanetricyclo[3.3.1.1~3,7~]decaneMFCD00074719CHEBI:40519Tricyclo(3.3.1.13,7)decanePJY633525U
Molecular Weight
136.130
Molecular Weight
136.23
Molecular Formula
C10H16
Molecular Formula
C10H16
Molecular Formula
C10H16
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.014
Quantitative Estimate Of Drug Likeness（Qed）
0.480