Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
Click a node to open it in a new tab
Herb: 2Ingredient: 1Target: 2Links: 4
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 681
- Core Entity Id
- 3950
- Source Entity Count
- 1
- Preferred Name
- 2,4,6-octatriene,3,4-dimethyl-
- Name En
- Pubchem Id
- 5371124
- Smiles Canonical
- CC=CC=C(C)C(=CC)C
- Molecular Formula
- C10H16
- Molecular Weight
- 136.2380
- Inchikey
- WGAUMWNVHAMGJF-AGPUZOHGSA-N
- Inchi
- InChI=1S/C10H16/c1-5-7-8-10(4)9(3)6-2/h5-8H,1-4H3/b7-5+,9-6+,10-8+
- Isomeric Smiles
- C/C=C/C=C(\C)/C(=C/C)/C
- Cas Id
- 57396-75-5
- Ob Score
- 30.1835
- Mol Logp
- 3.4750
- Num H Donors
- 0
- Num H Acceptors
- 0
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.5100
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2,4,6-Octatriene, 3,4-Dimethyl-
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
2,4,6-octatriene,3,4-dimethyl-
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
2,4,6-octatriene,3,4-dimethyl-
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
(2E,4E,6E)-3,4-Dimethyl-2,4,6-octatriene
Role
alias
Source
HERB_v2
Preferred
No
Name
(2E,4E,6E)-3,4-Dimethyl-2,4,6-octatriene
Role
alias
Source
itcmdb_public
Preferred
No
Name
2,4,6-Octatriene, 3,4-dimethyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
2,4,6-Octatriene, 3,4-dimethyl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
57396-75-5
Role
alias
Source
HERB_v2
Preferred
No
Name
57396-75-5
Role
alias
Source
itcmdb_public
Preferred
No
Name
DB-246822
Role
alias
Source
HERB_v2
Preferred
No
Name
DB-246822
Role
alias
Source
itcmdb_public
Preferred
No
Name
WGAUMWNVHAMGJF-AGPUZOHGSA-N
Role
alias
Source
HERB_v2
Preferred
No
Name
WGAUMWNVHAMGJF-AGPUZOHGSA-N
Role
alias
Source
itcmdb_public
Preferred
No
Name
3,4-Dimethyl-2,4,6-octatriene
Role
preferred
Source
TCMBank
Preferred
Yes
Aliases
Additional names normalized into the restored final schema.
2,4,6-Octatriene, 3,4-Dimethyl-(2E,4E,6E)-3,4-Dimethyl-2,4,6-octatriene57396-75-5DB-246822WGAUMWNVHAMGJF-AGPUZOHGSA-N3,4-Dimethyl-2,4,6-octatriene
Cross References
Trusted external identifiers retained for this final record.
Cas
57396-75-5
Herb
HBIN004242HBIN004241HBIN007440
Npass
NPC25871
Tcmid
4102742894
Tcmsp
MOL012113
Sym Map
SMIT12913
Pub Chem
5371124
Tcmbank
TCMBANKIN059429
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C10H16/c1-5-7-8-10(4)9(3)6-2/h5-8H,1-4H3/b7-5+,9-6+,10-8+
Mol Wt
136.238
Cas Id
57396-75-5
Smiles
CC=CC=C(C)C(=CC)C
Mol Log P
3.475000000000002
Version
v1,v2
In Ch Ikey
WGAUMWNVHAMGJF-AGPUZOHGSA-N
Ob Score
30.1835279430.184
Suppress
0
Num Hdonors
0
Drug Likeness
0.51
Num Hacceptors
0
Isomeric Smiles
C/C=C/C=C(\C)/C(=C/C)/C
Molecule Weight
136.26
Canonical Smiles
CC=CC=C(C)C(=CC)C
Herb Alias Names
2,4,6-Octatriene, 3,4-dimethyl-(2E,4E,6E)-3,4-Dimethyl-2,4,6-octatriene57396-75-5WGAUMWNVHAMGJF-AGPUZOHGSA-NDB-246822
Molecular Weight
136.23 g/mol
Molecular Formula
C10H16
Molecular Formula
C10H16
Num Rotatable Bonds
2