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
- 788
- Core Entity Id
- 4070
- Source Entity Count
- 1
- Preferred Name
- 2,4-diphenyl-4-methyl-2-pentene
- Name En
- Pubchem Id
- 5376315
- Smiles Canonical
- CC(=CC(C)(C)C1=CC=CC=C1)C2=CC=CC=C2
- Molecular Formula
- C18H20
- Molecular Weight
- 236.3580
- Inchikey
- VOOVDZMAQQVAEW-PFONDFGASA-N
- Inchi
- InChI=1S/C18H20/c1-15(16-10-6-4-7-11-16)14-18(2,3)17-12-8-5-9-13-17/h4-14H,1-3H3/b15-14-
- Isomeric Smiles
- C/C(=C/C(C)(C)C1=CC=CC=C1)/C2=CC=CC=C2
- Cas Id
- Ob Score
- Mol Logp
- 5.0677
- Num H Donors
- 0
- Num H Acceptors
- 0
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.6980
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2,4-Diphenyl-4-methyl-2-pentene
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2,4-diphenyl-4-methyl-2-pentene
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
2,4-diphenyl-4-methyl-2-pentene
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(1,1-Dimethyl-3-phenyl-2-butenyl)benzene
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,1'-(1,3,3-Trimethylprop-1-ene-1,3-diyl)dibenzene
Role
alias
Source
HERB_v2
Preferred
No
Name
1,1'-(1,3,3-Trimethylprop-1-ene-1,3-diyl)dibenzene
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,3-Dimethyl-1,3-diphenyl-1-butene
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,3-Dimethyl-1,3-diphenyl-1-butene
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Pentene, 4-methyl-2,4-diphenyl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Pentene, 4-methyl-2,4-diphenyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
Benzene, 1,1'-(1,3,3-trimethyl-1-propene-1,3-diyl)bis-
Role
alias
Source
HERB_v2
Preferred
No
Name
Benzene, 1,1'-(1,3,3-trimethyl-1-propene-1,3-diyl)bis-
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID0064171
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID0064171
Role
alias
Source
itcmdb_public
Preferred
No
Name
EINECS 228-396-2
Role
alias
Source
HERB_v2
Preferred
No
Name
EINECS 228-396-2
Role
alias
Source
itcmdb_public
Preferred
No
Name
NSC 54387
Role
alias
Source
HERB_v2
Preferred
No
Name
NSC 54387
Role
alias
Source
itcmdb_public
Preferred
No
Name
[1,1-Dimethyl-3-phenyl-2-butenyl]benzene
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(1,1-Dimethyl-3-phenyl-2-butenyl)benzene1,1'-(1,3,3-Trimethylprop-1-ene-1,3-diyl)dibenzene1,3-Dimethyl-1,3-diphenyl-1-butene2-Pentene, 4-methyl-2,4-diphenyl-Benzene, 1,1'-(1,3,3-trimethyl-1-propene-1,3-diyl)bis-DTXSID0064171EINECS 228-396-2NSC 54387[1,1-Dimethyl-3-phenyl-2-butenyl]benzene
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN004369
Npass
NPC269647
Tcmid
41030
Pub Chem
5376315
Tcmbank
TCMBANKIN032740
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C18H20/c1-15(16-10-6-4-7-11-16)14-18(2,3)17-12-8-5-9-13-17/h4-14H,1-3H3/b15-14-
Mol Wt
236.358
Smiles
CC(=CC(C)(C)C1=CC=CC=C1)C2=CC=CC=C2
Mol Log P
5.067700000000004
In Ch Ikey
VOOVDZMAQQVAEW-PFONDFGASA-N
Num Hdonors
0
Drug Likeness
0.698
Num Hacceptors
0
Isomeric Smiles
C/C(=C/C(C)(C)C1=CC=CC=C1)/C2=CC=CC=C2
Canonical Smiles
CC(=CC(C)(C)C1=CC=CC=C1)C2=CC=CC=C2
Herb Alias Names
2-Pentene, 4-methyl-2,4-diphenyl-EINECS 228-396-2NSC 543871,3-Dimethyl-1,3-diphenyl-1-butene1,1'-(1,3,3-Trimethylprop-1-ene-1,3-diyl)dibenzene[1,1-Dimethyl-3-phenyl-2-butenyl]benzeneBenzene, 1,1'-(1,3,3-trimethyl-1-propene-1,3-diyl)bis-(1,1-Dimethyl-3-phenyl-2-butenyl)benzeneDTXSID0064171
Molecular Weight
236.4 g/mol
Molecular Formula
C18H20
Molecular Formula
C18H20
Num Rotatable Bonds
3