Combretastatin A-4
Properties
- Molecular formula
- C18H20O5
- Molar mass
- 316.35 g/mol
- Exact mass
- 316.1311 Da
- Melting point
- 116–117 °C
- logP
- 3.60Crippen estimate
- Polar surface area
- 57.1 Ų
- H-bond donors / acceptors
- 1 / 5
- Rotatable bonds
- 6
Hazards
Danger
- H301 Toxic if swallowed100% of notifiers
- H311 Toxic in contact with skin100% of notifiers
- H318 Causes serious eye damage100% of notifiers
- H331 Toxic if inhaled100% of notifiers
Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P354+P338, P316, P317, P321, P330, P361+P364, P403+P233, P405, P501
Identifiers
CAS number
117048-59-6SMILES
COc1ccc(/C=Cc2cc(OC)c(OC)c(OC)c2)cc1OInChIKey
HVXBOLULGPECHP-WAYWQWQTSA-NInChI
InChI=1S/C18H20O5/c1-20-15-8-7-12(9-14(15)19)5-6-13-10-16(21-2)18(23-4)17(11-13)22-3/h5-11,19H,1-4H3/b6-5-Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
13 names · show all
- Phenol, 2-methoxy-5-[(1Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]-
- Phenol, 2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]-, (Z)-
- 2-Methoxy-5-[(1Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol
- Combretastatin A4
- NSC 817373
- CRC 87-09
- NSC 613729
- Combretastatin 4
- CA 4
- 2′-Deoxycombretastatin A1
- 2-Methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol
- cis-Combretastatin A4
- C 7744
Work with Combretastatin A-4
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Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds