Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 2194
- Core Entity Id
- 5627
- Source Entity Count
- 1
- Preferred Name
- 2-methyladamantane
- Name En
- Pubchem Id
- 136535
- Smiles Canonical
- CC1C2CC3CC(C2)CC1C3
- Molecular Formula
- C11H18
- Molecular Weight
- 150.2650
- Inchikey
- VMODAALDMAYACB-UHFFFAOYSA-N
- Inchi
- InChI=1S/C11H18/c1-7-10-3-8-2-9(5-10)6-11(7)4-8/h7-11H,2-6H2,1H3
- Isomeric Smiles
- CC1C2CC3CC(C2)CC1C3
- Cas Id
- Ob Score
- Mol Logp
- 3.0786
- Num H Donors
- 0
- Num H Acceptors
- 0
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.4980
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2-Methyladamantane
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2-methyladamantane
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
2-methyladamantane
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
700-56-1
Role
alias
Source
HERB_v2
Preferred
No
Name
700-56-1
Role
alias
Source
itcmdb_public
Preferred
No
Name
AKOS006274181
Role
alias
Source
HERB_v2
Preferred
No
Name
AKOS006274181
Role
alias
Source
itcmdb_public
Preferred
No
Name
AKOS015917994
Role
alias
Source
HERB_v2
Preferred
No
Name
AKOS015917994
Role
alias
Source
itcmdb_public
Preferred
No
Name
ALBB-033828
Role
alias
Source
HERB_v2
Preferred
No
Name
ALBB-033828
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXCID40142756
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXCID40142756
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID40220265
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID40220265
Role
alias
Source
itcmdb_public
Preferred
No
Name
Tricyclo(3.3.1.1)decane, 2-methyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
Tricyclo(3.3.1.1)decane, 2-methyl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Tricyclo[3.3.1.13,7]decane, 2-methyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
Tricyclo[3.3.1.13,7]decane, 2-methyl-
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
700-56-1AKOS006274181AKOS015917994ALBB-033828DTXCID40142756DTXSID40220265Tricyclo(3.3.1.1)decane, 2-methyl-Tricyclo[3.3.1.13,7]decane, 2-methyl-
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN006021
Npass
NPC34829
Tcmid
32624
Pub Chem
136535
Tcmbank
TCMBANKIN032856
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C11H18/c1-7-10-3-8-2-9(5-10)6-11(7)4-8/h7-11H,2-6H2,1H3
Mol Wt
150.265
Smiles
CC1C2CC3CC(C2)CC1C3
Mol Log P
3.078600000000002
In Ch Ikey
VMODAALDMAYACB-UHFFFAOYSA-N
Num Hdonors
0
Drug Likeness
0.498
Num Hacceptors
0
Isomeric Smiles
CC1C2CC3CC(C2)CC1C3
Canonical Smiles
CC1C2CC3CC(C2)CC1C3
Herb Alias Names
700-56-1Tricyclo[3.3.1.13,7]decane, 2-methyl-DTXSID40220265Tricyclo(3.3.1.1)decane, 2-methyl-Tricyclo[3.3.1.1]decane, 2-methyl-DTXCID40142756ALBB-033828AKOS006274181AKOS015917994
Molecular Weight
150.26 g/mol
Molecular Formula
C11H18
Molecular Formula
C11H18
Num Rotatable Bonds
0