UCSF

ZINC 12

User Information

Not Authenticated — sign in

Active cart: Temporary Cart (0 items)

Navigation

About
- ZINC
- BCIRC
- Irwin Lab
- Shoichet Lab
- UCSF
- Acknowledgements
- Facts
- Usage
Search
- By:
- Text
- Structure
- Properties
- Catalogs
- ZINC
- Targets
- Rings
- Combination
Subsets
- By:
- Catalog
- Property
- Target
- Ring
- Cart
Help
- Introduction
- FAQ
- Scripting/API
- Quick Search
- Problems
- Filtering
- History
Social
- ZINC Fans
- Decoy Club
- DOCK Fans
- Facebook
- Twitter
- Blog
- Linkedin
Quick Search ZINC ID or SMILES

Synonyms (13)
Vendors (12)
Annotations (12)
Representations (1)
Notes (4)
Targets (0)
Clustered (0)
Reactome (0)
Rings (0)
Analogs (1)

ZINC12358735

12358735

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since	Heavy atoms	Benign functionality
May 9^th, 2008	11	Yes

Popular Name: trans-Anethole trans-Anethole

Find On: PubMed — Wikipedia — Google

CAS Numbers: 104-46-1 , 25679-28-1 , 4180-23-8

Other Names:

(E)-1-(4-Methoxyphenyl)propene;(E)-1-Methoxy-4-(1-propenyl)benzene;(E)-1-p-Methoxyphenylpropene;(E)-Anethol;(E)-anethole;(E)-p-propenylanisole;1-(4-Methoxyphenyl)-1(3)-propene;1-(Methyloxy)-4-[(1E)-prop-1-en-1-yl]benzene;1-(p-Methoxyphenyl)-Propene;1-Meth

(E)-1-Methoxy-4-propenylbenzene

(Z)-1-Methoxy-4-(prop-1-en-1-yl)benzene

(Z)-Anethole; (Z-)-Anethole; Anisole, p-propenyl-, cis-; BRN 1209632; Benzene, 1-methoxy-4-(1-propenyl)-, (Z)-; EINECS 247-181-4; LS-20221; cis-Anethole; cis-p-Anethole; cis-p-Propenylanisole

1-(methyloxy)-4-[(1Z)-prop-1-en-1-yl]benzene; 1-Methoxy-4-(1-propenyl)benzene; 1-Methoxy-4-propenylbenzene; 1-Propene, 1-(4-methoxyphenyl)-; 1-methoxy-4-[(1E)-prop-1-en-1-yl]benzene; 4-Methoxy-1-propenylbenzene; 4-Methoxypropenylbenzene; 4-Propenylanisole

trans-4-Propenylanisole

trans-Anethole, 98+%

trans-Anethole, 98+%, stab.

SMILES:

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.10	1.87	-3.38	0	1	0	9	148.205	2	↓ MOL2 SDF SMILES Flexibase

Vendor Notes

Note Type	Comments	Provided By
Melting_Point	20-23?	Alfa-Aesar
Melting_Point	20-23°	Alfa-Aesar
Boiling_Point	232-235?	Alfa-Aesar
Boiling_Point	232-235°	Alfa-Aesar

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )

3632937

Synonyms (13)
Vendors (12)
Annotations (12)
Representations (1)
Notes (4)
Targets (0)
Clustered (0)
Reactome (0)
Rings (0)
Analogs (1)