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: 9Ingredient: 1Target: 2Links: 11
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 30699
- Core Entity Id
- 37303
- Source Entity Count
- 1
- Preferred Name
- Propenylbenzene
- Name En
- Pubchem Id
- 252325
- Smiles Canonical
- CC=CC1=CC=CC=C1
- Molecular Formula
- C9H10
- Molecular Weight
- 118.1790
- Inchikey
- QROGIFZRVHSFLM-QHHAFSJGSA-N
- Inchi
- InChI=1S/C9H10/c1-2-6-9-7-4-3-5-8-9/h2-8H,1H3/b6-2+
- Isomeric Smiles
- C/C=C/C1=CC=CC=C1
- Cas Id
- 873-66-5
- Ob Score
- 35.4450
- 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
Propenylbenzene
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Propenylbenzene
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Propenylbenzene
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
1-Phenylpropene
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-Phenylpropene
Role
alias
Source
HERB_v2
Preferred
No
Name
1-Propenylbenzene
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-Propenylbenzene
Role
alias
Source
HERB_v2
Preferred
No
Name
637-50-3
Role
alias
Source
itcmdb_public
Preferred
No
Name
637-50-3
Role
alias
Source
HERB_v2
Preferred
No
Name
873-66-5
Role
alias
Source
itcmdb_public
Preferred
No
Name
873-66-5
Role
alias
Source
HERB_v2
Preferred
No
Name
Isoallylbenzene
Role
alias
Source
HERB_v2
Preferred
No
Name
Isoallylbenzene
Role
alias
Source
itcmdb_public
Preferred
No
Name
Prop-1-en-1-ylbenzene
Role
alias
Source
itcmdb_public
Preferred
No
Name
Prop-1-en-1-ylbenzene
Role
alias
Source
HERB_v2
Preferred
No
Name
beta-Methylstyrene
Role
alias
Source
HERB_v2
Preferred
No
Name
beta-Methylstyrene
Role
alias
Source
itcmdb_public
Preferred
No
Name
trans-1-Phenyl-1-propene
Role
alias
Source
itcmdb_public
Preferred
No
Name
trans-1-Phenyl-1-propene
Role
alias
Source
HERB_v2
Preferred
No
Name
trans-beta-Methylstyrene
Role
alias
Source
itcmdb_public
Preferred
No
Name
trans-beta-Methylstyrene
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
1-Phenylpropene1-Propenylbenzene637-50-3873-66-5IsoallylbenzeneProp-1-en-1-ylbenzenebeta-Methylstyrenetrans-1-Phenyl-1-propenetrans-beta-Methylstyrene
Cross References
Trusted external identifiers retained for this final record.
Cas
873-66-5
Herb
HBIN040834HBIN030391
Npass
NPC269586
Tcmid
31324
Tcmsp
MOL001030
Sym Map
SMIT03511SMIT19271
Tcm Id
24650
Pub Chem
252325
Tcmbank
TCMBANKIN059443
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C9H10/c1-2-6-9-7-4-3-5-8-9/h2-8H,1H3/b6-2+
Mol Wt
118.179
Cas Id
873-66-5
Smiles
CC=CC1=CC=CC=C1
Mol Log P
2.7197
Version
v1,v2
In Ch Ikey
QROGIFZRVHSFLM-QHHAFSJGSA-N
Ob Score
35.44535.44540965
Suppress
0
Num Hdonors
0
Drug Likeness
0.532
Num Hacceptors
0
Isomeric Smiles
C/C=C/C1=CC=CC=C1
Molecule Weight
118.19
Canonical Smiles
CC=CC1=CC=CC=C1
Herb Alias Names
trans-beta-Methylstyrenebeta-Methylstyrene873-66-5637-50-3Isoallylbenzene1-Phenylpropenetrans-1-Phenyl-1-propene1-PropenylbenzeneProp-1-en-1-ylbenzene
Molecular Weight
118.18 g/mol
Molecular Formula
C9H10
Molecular Formula
C9H10
Num Rotatable Bonds
1