Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 2189
- Core Entity Id
- 5621
- Source Entity Count
- 1
- Preferred Name
- 2-methyl-6-methylene-2-octene
- Name En
- Pubchem Id
- 517740
- Smiles Canonical
- CCC(=C)CCC=C(C)C
- Molecular Formula
- C10H18
- Molecular Weight
- 138.2540
- Inchikey
- URHLAZIFTACBJA-UHFFFAOYSA-N
- Inchi
- InChI=1S/C10H18/c1-5-10(4)8-6-7-9(2)3/h7H,4-6,8H2,1-3H3
- Isomeric Smiles
- CCC(=C)CCC=C(C)C
- Cas Id
- Ob Score
- Mol Logp
- 3.6990
- Num H Donors
- 0
- Num H Acceptors
- 0
- Num Rotatable Bonds
- 4
- Drug Likeness
- 0.5200
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2-Methyl-6-methylene-2-octene
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2-methyl-6-methylene-2-octene
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
2-methyl-6-methylene-2-octene
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
10054-09-8
Role
alias
Source
itcmdb_public
Preferred
No
Name
10054-09-8
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Ethyl-6-methyl-1,5-heptadiene #
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Ethyl-6-methyl-1,5-heptadiene #
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Methyl 6-methylene 2-octene
Role
alias
Source
TCMBank
Preferred
No
Name
2-Methyl 6-methylene 2-octene
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Methyl 6-methylene 2-octene
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Octene, 2-methyl-6-methylene-
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Octene, 2-methyl-6-methylene-
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-methyl-6-methyleneoct-2-ene
Role
alias
Source
HERB_v2
Preferred
No
Name
2-methyl-6-methyleneoct-2-ene
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-methyl-6-methylideneoct-2-ene
Role
alias
Source
HERB_v2
Preferred
No
Name
2-methyl-6-methylideneoct-2-ene
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID00333709
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID00333709
Role
alias
Source
itcmdb_public
Preferred
No
Name
LMFA11000506
Role
alias
Source
HERB_v2
Preferred
No
Name
LMFA11000506
Role
alias
Source
itcmdb_public
Preferred
No
Name
NS00084715
Role
alias
Source
HERB_v2
Preferred
No
Name
NS00084715
Role
alias
Source
itcmdb_public
Preferred
No
Name
URHLAZIFTACBJA-UHFFFAOYSA-N
Role
alias
Source
HERB_v2
Preferred
No
Name
URHLAZIFTACBJA-UHFFFAOYSA-N
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
10054-09-82-Ethyl-6-methyl-1,5-heptadiene #2-Methyl 6-methylene 2-octene2-Octene, 2-methyl-6-methylene-2-methyl-6-methyleneoct-2-ene2-methyl-6-methylideneoct-2-eneDTXSID00333709LMFA11000506NS00084715URHLAZIFTACBJA-UHFFFAOYSA-N
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN006015
Npass
NPC119052
Tcmid
3798038038
Pub Chem
517740
Tcmbank
TCMBANKIN003482
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C10H18/c1-5-10(4)8-6-7-9(2)3/h7H,4-6,8H2,1-3H3
Mol Wt
138.254
Smiles
CCC(=C)CCC=C(C)C
Mol Log P
3.699000000000003
In Ch Ikey
URHLAZIFTACBJA-UHFFFAOYSA-N
Num Hdonors
0
Drug Likeness
0.52
Num Hacceptors
0
Isomeric Smiles
CCC(=C)CCC=C(C)C
Canonical Smiles
CCC(=C)CCC=C(C)C
Herb Alias Names
2-Methyl 6-methylene 2-octene2-Octene, 2-methyl-6-methylene-10054-09-82-methyl-6-methylideneoct-2-ene2-methyl-6-methyleneoct-2-eneDTXSID00333709URHLAZIFTACBJA-UHFFFAOYSA-NLMFA110005062-Ethyl-6-methyl-1,5-heptadiene #NS00084715
Molecular Weight
138.25 g/mol
Molecular Formula
C10H18
Molecular Formula
C10H18
Num Rotatable Bonds
4