Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 4Ingredient: 1Target: 8Links: 12
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 2447
- Core Entity Id
- 5907
- Source Entity Count
- 1
- Preferred Name
- 2-phenylpropene
- Name En
- Pubchem Id
- 7407
- Smiles Canonical
- CC(=C)C1=CC=CC=C1
- Molecular Formula
- C9H10
- Molecular Weight
- 118.1790
- Inchikey
- XYLMUPLGERFSHI-UHFFFAOYSA-N
- Inchi
- InChI=1S/C9H10/c1-8(2)9-6-4-3-5-7-9/h3-7H,1H2,2H3
- Isomeric Smiles
- CC(=C)C1=CC=CC=C1
- Cas Id
- 98-83-9
- Ob Score
- 46.3540
- Mol Logp
- 2.7197
- Num H Donors
- 0
- Num H Acceptors
- 0
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.5320
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2-Phenylpropene
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
2-Phenylpropene
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2-Phenylpropene
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
2-Phenylpropene
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
2-phenylpropene
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
2-phenylpropene
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(1-Methylethenyl)benzene
Role
alias
Source
TCMBank
Preferred
No
Name
.alpha.-Methylstyreen
Role
alias
Source
TCMBank
Preferred
No
Name
.alpha.-Methylstyrol
Role
alias
Source
TCMBank
Preferred
No
Name
.alpha.-Metil-stirolo
Role
alias
Source
TCMBank
Preferred
No
Name
.beta.-Phenylpropene
Role
alias
Source
TCMBank
Preferred
No
Name
.beta.-Phenylpropylene
Role
alias
Source
TCMBank
Preferred
No
Name
1-Methyl-1-phenylethene
Role
alias
Source
TCMBank
Preferred
No
Name
1-Methyl-1-phenylethylene
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-Methyl-1-phenylethylene
Role
alias
Source
TCMBank
Preferred
No
Name
1-Methyl-1-phenylethylene
Role
alias
Source
HERB_v2
Preferred
No
Name
1-MethylethenylBenzine
Role
alias
Source
TCMBank
Preferred
No
Name
1-Methylethylenebenzene
Role
alias
Source
TCMBank
Preferred
No
Name
1-Phenyl-1-methylethylene
Role
alias
Source
TCMBank
Preferred
No
Name
1-Propene, 2-phenyl-
Role
alias
Source
TCMBank
Preferred
No
Name
2-Phenyl-1-propene
Role
alias
Source
TCMBank
Preferred
No
Name
2-Phenyl-1-propene
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Phenyl-1-propene
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Phenylpropylene
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Phenylpropylene
Role
alias
Source
TCMBank
Preferred
No
Name
2-Phenylpropylene
Role
alias
Source
HERB_v2
Preferred
No
Name
2-phenyl-2-propene
Role
alias
Source
TCMBank
Preferred
No
Name
25014-31-7
Role
alias
Source
TCMBank
Preferred
No
Name
42612-14-6
Role
alias
Source
TCMBank
Preferred
No
Name
69168_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
69170_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
81513_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
81514_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
81516_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
81517_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
81518_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
81519_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
81520_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
81522_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
81523_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
81524_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
98-83-9
Role
alias
Source
HERB_v2
Preferred
No
Name
98-83-9
Role
alias
Source
TCMBank
Preferred
No
Name
98-83-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
AI3-18133
Role
alias
Source
TCMBank
Preferred
No
Name
Benzene, (1-methylethenyl)-
Role
alias
Source
HERB_v2
Preferred
No
Name
Benzene, (1-methylethenyl)-
Role
alias
Source
TCMBank
Preferred
No
Name
Benzene, (1-methylethenyl)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Benzene, (1-methylethenyl)-, homopolymer
Role
alias
Source
TCMBank
Preferred
No
Name
C14395
Role
alias
Source
TCMBank
Preferred
No
Name
CCRIS 6067
Role
alias
Source
TCMBank
Preferred
No
Name
EINECS 202-705-0
Role
alias
Source
TCMBank
Preferred
No
Name
HSDB 196
Role
alias
Source
TCMBank
Preferred
No
Name
InChI=1/C9H10/c1-8(2)9-6-4-3-5-7-9/h3-7H,1H2,2H
Role
alias
Source
TCMBank
Preferred
No
Name
Isopropenil-benzolo
Role
alias
Source
TCMBank
Preferred
No
Name
Isopropenil-benzolo [Italian]
Role
alias
Source
TCMBank
Preferred
No
Name
Isopropenyl-benzeen
Role
alias
Source
TCMBank
Preferred
No
Name
Isopropenyl-benzeen [Dutch]
Role
alias
Source
TCMBank
Preferred
No
Name
Isopropenyl-benzol
Role
alias
Source
TCMBank
Preferred
No
Name
Isopropenyl-benzol [German]
Role
alias
Source
TCMBank
Preferred
No
Name
Isopropenylbenzene
Role
alias
Source
HERB_v2
Preferred
No
Name
Isopropenylbenzene
Role
alias
Source
TCMBank
Preferred
No
Name
Isopropenylbenzene
Role
alias
Source
itcmdb_public
Preferred
No
Name
Isopropenylbenzene [UN2303] [Flammable liquid]
Role
alias
Source
TCMBank
Preferred
No
Name
LS-2049
Role
alias
Source
TCMBank
Preferred
No
Name
M80903_ALDRICH
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00090741-01
Role
alias
Source
TCMBank
Preferred
No
Name
NSC 9400
Role
alias
Source
TCMBank
Preferred
No
Name
Ortho Brush Killer A
Role
alias
Source
TCMBank
Preferred
No
Name
Poly(alpha-methylstyrene)
Role
alias
Source
TCMBank
Preferred
No
Name
Styrene, .alpha.-methyl-
Role
alias
Source
TCMBank
Preferred
No
Name
UN2303
Role
alias
Source
TCMBank
Preferred
No
Name
WLN: 1YR & U1
Role
alias
Source
TCMBank
Preferred
No
Name
a-Methylstyrene
Role
alias
Source
HERB_v2
Preferred
No
Name
a-Methylstyrene
Role
alias
Source
itcmdb_public
Preferred
No
Name
alpha-Methyl-styrol [German]
Role
alias
Source
TCMBank
Preferred
No
Name
alpha-Methylstyreen [Dutch]
Role
alias
Source
TCMBank
Preferred
No
Name
alpha-Methylstyrene
Role
alias
Source
HERB_v2
Preferred
No
Name
alpha-Methylstyrene
Role
alias
Source
TCMBank
Preferred
No
Name
alpha-Methylstyrene
Role
alias
Source
itcmdb_public
Preferred
No
Name
alpha-Methylstyrene monomer
Role
alias
Source
TCMBank
Preferred
No
Name
alpha-Metil-stirolo [Italian]
Role
alias
Source
TCMBank
Preferred
No
Name
as-Methylphenylethylene
Role
alias
Source
TCMBank
Preferred
No
Name
ghl.PD_Mitscher_leg0.286
Role
alias
Source
TCMBank
Preferred
No
Name
prop-1-en-2-ylbenzene
Role
alias
Source
HERB_v2
Preferred
No
Name
prop-1-en-2-ylbenzene
Role
alias
Source
TCMBank
Preferred
No
Name
prop-1-en-2-ylbenzene
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(1-Methylethenyl)benzene.alpha.-Methylstyreen.alpha.-Methylstyrol.alpha.-Metil-stirolo.beta.-Phenylpropene.beta.-Phenylpropylene1-Methyl-1-phenylethene1-Methyl-1-phenylethylene1-MethylethenylBenzine1-Methylethylenebenzene1-Phenyl-1-methylethylene1-Propene, 2-phenyl-2-Phenyl-1-propene2-Phenylpropylene2-phenyl-2-propene25014-31-742612-14-669168_FLUKA69170_FLUKA81513_FLUKA81514_FLUKA81516_FLUKA81517_FLUKA81518_FLUKA81519_FLUKA81520_FLUKA81522_FLUKA81523_FLUKA81524_FLUKA98-83-9AI3-18133Benzene, (1-methylethenyl)-Benzene, (1-methylethenyl)-, homopolymerC14395CCRIS 6067EINECS 202-705-0HSDB 196InChI=1/C9H10/c1-8(2)9-6-4-3-5-7-9/h3-7H,1H2,2HIsopropenil-benzoloIsopropenil-benzolo [Italian]Isopropenyl-benzeenIsopropenyl-benzeen [Dutch]Isopropenyl-benzolIsopropenyl-benzol [German]IsopropenylbenzeneIsopropenylbenzene [UN2303] [Flammable liquid]LS-2049M80903_ALDRICHNCGC00090741-01NSC 9400Ortho Brush Killer APoly(alpha-methylstyrene)Styrene, .alpha.-methyl-UN2303WLN: 1YR & U1a-Methylstyrenealpha-Methyl-styrol [German]alpha-Methylstyreen [Dutch]alpha-Methylstyrenealpha-Methylstyrene monomeralpha-Metil-stirolo [Italian]as-Methylphenylethyleneghl.PD_Mitscher_leg0.286prop-1-en-2-ylbenzene
Cross References
Trusted external identifiers retained for this final record.
Cas
98-83-9
Herb
HBIN006324
Tcmsp
MOL002012
Sym Map
SMIT04332
Pub Chem
7407
Tcmbank
TCMBANKIN027175
Etcm Ingredient
2-Phenylpropene
Itcmdb Generated
ITX-INGREDIENT-BE4CB021C3EC
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C9H10/c1-8(2)9-6-4-3-5-7-9/h3-7H,1H2,2H3
Mol Wt
118.179
Cas Id
98-83-9
Smiles
CC(=C)C1=CC=CC=C1
Mol Log P
2.7197
Version
v1,v2
In Ch Ikey
XYLMUPLGERFSHI-UHFFFAOYSA-N
Ob Score
46.35446.35429746.3542971
Suppress
0
Num Hdonors
0
Drug Likeness
0.532
Num Hacceptors
0
Isomeric Smiles
CC(=C)C1=CC=CC=C1
Molecule Weight
118.19
Canonical Smiles
CC(=C)C1=CC=CC=C1
Herb Alias Names
alpha-Methylstyrene98-83-92-Phenyl-1-propeneIsopropenylbenzeneprop-1-en-2-ylbenzeneBenzene, (1-methylethenyl)-2-Phenylpropylene1-Methyl-1-phenylethylenea-Methylstyrene
Molecular Weight
118.080
Molecular Weight
118.18
Molecular Formula
C9H10
Molecular Formula
C9H10
Molecular Formula
C9H10
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.033
Quantitative Estimate Of Drug Likeness（Qed）
0.532